1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[[4-(diethylamino)phenyl]methyl]-4-methoxy-N-(4-methylphenyl)benzenesulfonamide

2.1.2 InChI

InChI=1S/C25H30N2O3S/c1-5-26(6-2)22-13-9-21(10-14-22)19-27(23-11-7-20(3)8-12-23)31(28,29)25-17-15-24(30-4)16-18-25/h7-18H,5-6,19H2,1-4H3

2.1.3 InChI Key

FKEFNETYRMRPCY-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Xie2-64

2.2.2 Depositor-Supplied Synonyms

1. Chembl2326297

2. 1426153-46-9

3. Starbld0046985

4. Schembl15064400

5. Bdbm50427413

6. Xl-001

7. Pd174993

2.3 Create Date

2013-07-08

3 Chemical and Physical Properties

Molecular Formula	C₂₅H₃₀N₂O₃S
Molecular Weight	438.6 g/mol
XLogP3	5.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	9
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	58.2
Heavy Atom Count	31
Formal Charge	0
Complexity	607
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

XL-001