JENXIOQPSJSXEN-UHFFFAOYSA-N

Chemistry, 2 End Use API, 13 Related Intermediates

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Also known as: 1195768-20-7, N-[3-[2-(2-chloropyrimidin-4-yl)acetyl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide, N-{3-[(2-chloro-4-pyrimidinyl)acetyl]-2-fluorophenyl}-2,6-difluorobenzenesulfonamide, N-(3-((2-chloro-4-pyrimidinyl)acetyl)-2-fluorophenyl)-2,6-difluorobenzenesulfonamide, Schembl1127143, Dtxsid101126935

Molecular Formula

C₁₈H₁₁ClF₃N₃O₃S

Molecular Weight

441.8 g/mol

InChI Key

JENXIOQPSJSXEN-UHFFFAOYSA-N

1 2D Structure

JENXIOQPSJSXEN-UHFFFAOYSA-N

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[3-[2-(2-chloropyrimidin-4-yl)acetyl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide

2.1.2 InChI

InChI=1S/C18H11ClF3N3O3S/c19-18-23-8-7-10(24-18)9-15(26)11-3-1-6-14(16(11)22)25-29(27,28)17-12(20)4-2-5-13(17)21/h1-8,25H,9H2

2.1.3 InChI Key

JENXIOQPSJSXEN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=C(C(=C1)NS(=O)(=O)C2=C(C=CC=C2F)F)F)C(=O)CC3=NC(=NC=C3)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1195768-20-7

2. N-[3-[2-(2-chloropyrimidin-4-yl)acetyl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide

3. N-{3-[(2-chloro-4-pyrimidinyl)acetyl]-2-fluorophenyl}-2,6-difluorobenzenesulfonamide

4. N-(3-((2-chloro-4-pyrimidinyl)acetyl)-2-fluorophenyl)-2,6-difluorobenzenesulfonamide

5. Schembl1127143

6. Dtxsid101126935

7. Amy30055

8. Mfcd18447699

9. Zinc95912912

10. Sb60455

11. F12002

12. A907526

13. N-[3-[2-(2-chloro-4-pyrimidinyl)acetyl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide

2.3 Create Date

2012-08-19

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₁₁ClF₃N₃O₃S
Molecular Weight	441.8 g/mol
XLogP3	3.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	6
Exact Mass	441.0161746 g/mol
Monoisotopic Mass	441.0161746 g/mol
Topological Polar Surface Area	97.4 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	671
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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Guangdong Raffles PharmaTech Co Ltd

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CAS Number

1195768-20-7

End Use API

Dabrafenib Mesylate

About the Company

Established in August 2011, Raffles PharmaTech is a high-tech enterprise that focus on development, manuf...

Established in August 2011, Raffles PharmaTech is a high-tech enterprise that focus on development, manufacturing and sales of high-value added active pharmaceutical ingredients and intermediates. We are specialized in applying organic catalysts into the process development to lower cost, and to provide cost-effective product and service to customers. With our strong R&D capability and our proprietary organic catalysts, we provide low cost and high quality active pharmaceutical ingredients and intermediates to pharmaceutical companies. We also provide world standard process development, custom synthesis and manufacturing service.

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Shenzhen HwaGen Pharmaceutical

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N-{3-[(2-chloro-4-pyrimidinyl)acetyl]-2-fluorophenyl}-2...

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CAS Number

1195768-20-7

End Use API

Dabrafenib Mesylate

About the Company

Shenzhen HwaGen Pharmaceutical Co., Ltd. (HwaGen Pharma) was founded in December of 2015 under the leader...

Shenzhen HwaGen Pharmaceutical Co., Ltd. (HwaGen Pharma) was founded in December of 2015 under the leadership of a “National 1000 Talents Program” expert. By leveraging its core competency in chiral synthesis, enzymatic catalysis and continuous flow micro reactor, HwaGen Pharmaceutical is dedicated to development and manufacturing of specialty and niche intermediates and APIs covering various therapeutic areas including oncology, antiviral and respiratory, delivering high value-added and affordable products for global pharmaceutical industry. Equipments for Analysis & Test include Tabletop NMR, LC-MS, GC, HPLC etc.

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