N-(3-cyanophenyl)-4-(2,4-dichlorophenyl)benzenesulfonamide

C19H12Cl2N2O2S — CID 155927046

IUPACN-(3-cyanophenyl)-4-(2,4-dichlorophenyl)benzenesulfonamide
SMILESN#Cc1cccc(NS(=O)(=O)c2ccc(-c3ccc(Cl)cc3Cl)cc2)c1
InChIInChI=1S/C19H12Cl2N2O2S/c20-15-6-9-18(19(21)11-15)14-4-7-17(8-5-14)26(24,25)23-16-3-1-2-13(10-16)12-22/h1-11,23H
InChIKeySYMYSFAYEIZOMA-UHFFFAOYSA-N
MW403.29 g/mol
LogP5.33
Rot. Bonds4

About N-(3-cyanophenyl)-4-(2,4-dichlorophenyl)benzenesulfonamide

N-(3-cyanophenyl)-4-(2,4-dichlorophenyl)benzenesulfonamide (PubChem CID 155927046) has the molecular formula C19H12Cl2N2O2S and a molecular weight of 403.29 g/mol. Its IUPAC name is N-(3-cyanophenyl)-4-(2,4-dichlorophenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-4-(2,4-dichlorophenyl)benzenesulfonamide
PubChem CID155927046
Molecular FormulaC19H12Cl2N2O2S
Molecular Weight403.29 g/mol
Exact Mass402.00
IUPAC NameN-(3-cyanophenyl)-4-(2,4-dichlorophenyl)benzenesulfonamide
SMILESN#Cc1cccc(NS(=O)(=O)c2ccc(-c3ccc(Cl)cc3Cl)cc2)c1
InChIInChI=1S/C19H12Cl2N2O2S/c20-15-6-9-18(19(21)11-15)14-4-7-17(8-5-14)26(24,25)23-16-3-1-2-13(10-16)12-22/h1-11,23H
InChIKeySYMYSFAYEIZOMA-UHFFFAOYSA-N
XLogP5.33
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.29
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(2,4-dichlorophenyl)phenyl]sulfonylamino]benzenesulfonamide
CID 45138636
3-[[4-(2,4-dichlorophenyl)phenyl]sulfonylamino]-N,N-dimethylbenzenesulfonamide
CID 70911541
4-(2,4-dichlorophenyl)-N-[3-(2-hydroxyethyl)phenyl]benzenesulfonamide
CID 25094423
2,6-dichloro-N-(3-cyanophenyl)benzenesulfonamide
CID 26979574
3-cyano-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide
CID 25331446
N-[4-(3-cyanoanilino)phenyl]benzenesulfonamide
CID 112989986
N-(4-bromo-3-chlorophenyl)-3-cyanobenzenesulfonamide
CID 103822995
N-(4-chloro-3-nitrophenyl)-3-cyanobenzenesulfonamide
CID 8523387
4-(2-chlorophenyl)-N-(3-methylphenyl)benzenesulfonamide
CID 143959278
N-(3-cyanophenyl)-2,6-difluorobenzenesulfonamide
CID 3712473
2-chloro-N-(3-cyanophenyl)-4-fluorobenzenesulfonamide
CID 47154362
N-[4-(3-cyanoanilino)phenyl]-4-fluorobenzenesulfonamide
CID 112989988

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-4-(2,4-dichlorophenyl)benzenesulfonamide?
The IUPAC name of N-(3-cyanophenyl)-4-(2,4-dichlorophenyl)benzenesulfonamide (CID 155927046) is N-(3-cyanophenyl)-4-(2,4-dichlorophenyl)benzenesulfonamide.
What is the SMILES notation for N-(3-cyanophenyl)-4-(2,4-dichlorophenyl)benzenesulfonamide?
The canonical SMILES for N-(3-cyanophenyl)-4-(2,4-dichlorophenyl)benzenesulfonamide is N#Cc1cccc(NS(=O)(=O)c2ccc(-c3ccc(Cl)cc3Cl)cc2)c1.
What is the InChIKey of N-(3-cyanophenyl)-4-(2,4-dichlorophenyl)benzenesulfonamide?
The InChIKey is SYMYSFAYEIZOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N2O2S/c20-15-6-9-18(19(21)11-15)14-4-7-17(8-5-14)26(24,25)23-16-3-1-2-13(10-16)12-22/h1-11,23H.
What are the key properties of N-(3-cyanophenyl)-4-(2,4-dichlorophenyl)benzenesulfonamide?
N-(3-cyanophenyl)-4-(2,4-dichlorophenyl)benzenesulfonamide has a molecular weight of 403.29 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-4-(2,4-dichlorophenyl)benzenesulfonamide is sourced from PubChem (CID 155927046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).