Anvitha Lifecare

Also known as: 1228779-96-1, 3-nitro-4-((tetrahydro-2h-pyran-4-yl)methylamino)benzenesulfonamide, 3-nitro-4-[[(tetrahydro-2h-pyran-4-yl)methyl]amino]benzenesulfonamide, 5i2eu37urs, 3-nitro-4-(oxan-4-ylmethylamino)benzenesulfonamide, Mfcd28142285

Molecular Formula

C₁₂H₁₇N₃O₅S

Molecular Weight

315.35 g/mol

InChI Key

HNQRHNYBVWICKB-UHFFFAOYSA-N

FDA UNII

5I2EU37URS

1 2D Structure

CAS 1228779-96-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-nitro-4-(oxan-4-ylmethylamino)benzenesulfonamide

2.1.2 InChI

InChI=1S/C12H17N3O5S/c13-21(18,19)10-1-2-11(12(7-10)15(16)17)14-8-9-3-5-20-6-4-9/h1-2,7,9,14H,3-6,8H2,(H2,13,18,19)

2.1.3 InChI Key

HNQRHNYBVWICKB-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1COCCC1CNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

2.2 Other Identifiers

2.2.1 UNII

5I2EU37URS

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 1228779-96-1

2. 3-nitro-4-((tetrahydro-2h-pyran-4-yl)methylamino)benzenesulfonamide

3. 3-nitro-4-[[(tetrahydro-2h-pyran-4-yl)methyl]amino]benzenesulfonamide

4. 5i2eu37urs

5. 3-nitro-4-(oxan-4-ylmethylamino)benzenesulfonamide

6. Mfcd28142285

7. 3-nitro-4-[(oxan-4-ylmethyl)amino]benzene-1-sulfonamide

8. 3-nitro-4-[[(tetrahydropyran-4-yl)methyl]amino]benzenesulfonamide

9. 3-nitro-4-(((tetrahydro-2h-pyran-4-yl) Methyl) Amino)benzenesulfonamide

10. 3-nitro-4-(((tetrahydro-2h-pyran-4-yl) Methyl)amino) Benzene Sulfonamide

11. Benzenesulfonamide, 3-nitro-4-(((tetrahydro-2h-pyran-4-yl)methyl)amino)-

12. Benzenesulfonamide, 3-nitro-4-[[(tetrahydro-2h-pyran-4-yl)methyl]amino]-

13. Unii-5i2eu37urs

14. Schembl523815

15. Bcp15140

16. Zinc88267596

17. Akos025396108

18. Ds-8523

19. Sb17744

20. Da-25530

21. Sy099616

22. Cs-0010860

23. Ft-0700759

24. P14543

25. 3-nitro-4-[(oxan-4-ylmethyl)amino]benzene-1-sulfonamide;thp-sulfonamide;abt-199 Intermedate3

2.4 Create Date

2012-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₇N₃O₅S
Molecular Weight	315.35 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	315.08889182 g/mol
Monoisotopic Mass	315.08889182 g/mol
Topological Polar Surface Area	136 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	453
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

List of Suppliers

Full Screen View

Reset Filter

Ask Us

Upload your Marketing & Sales content on your company Virtual Booth, click HERE

Post an Enquiry

India

Virtual Booth

Digital Content

Dimedone

PDF Supplier PDF

URL Supplier Web Content

CAS Number

126-81-8

End Use API

Venetoclax

About the Company

Established in 2016, a state-of-the-art R&D facility engaged in the development of Novel processes for Bu...

Established in 2016, a state-of-the-art R&D facility engaged in the development of Novel processes for Bulk Actives including Deuterated Actives, Advanced Intermediates and up the value chain. With experience, Anvitha Life Care Private Limited has knowledge and expertise as a leader in chemical research. Every decision is inspired by our main mission, which is to provide the highest standard of product and services to our clients. In this rapidly changing industry, we’ve realized the importance of continually updating our approach to stay relevant in the market, and are committed to just that.

ASK
US

Upload
your Marketing & Sales content