N-[4-cyano-2-[(2-methylphenyl)sulfonylamino]phenyl]-2-methylbenzenesulfonamide

C21H19N3O4S2 — CID 118497699

IUPACN-[4-cyano-2-[(2-methylphenyl)sulfonylamino]phenyl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1ccc(C#N)cc1NS(=O)(=O)c1ccccc1C
InChIInChI=1S/C21H19N3O4S2/c1-15-7-3-5-9-20(15)29(25,26)23-18-12-11-17(14-22)13-19(18)24-30(27,28)21-10-6-4-8-16(21)2/h3-13,23-24H,1-2H3
InChIKeyYZFBPXGEABTCSC-UHFFFAOYSA-N
MW441.53 g/mol
LogP3.78
Rot. Bonds6

About N-[4-cyano-2-[(2-methylphenyl)sulfonylamino]phenyl]-2-methylbenzenesulfonamide

N-[4-cyano-2-[(2-methylphenyl)sulfonylamino]phenyl]-2-methylbenzenesulfonamide (PubChem CID 118497699) has the molecular formula C21H19N3O4S2 and a molecular weight of 441.53 g/mol. Its IUPAC name is N-[4-cyano-2-[(2-methylphenyl)sulfonylamino]phenyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-cyano-2-[(2-methylphenyl)sulfonylamino]phenyl]-2-methylbenzenesulfonamide
PubChem CID118497699
Molecular FormulaC21H19N3O4S2
Molecular Weight441.53 g/mol
Exact Mass441.08
IUPAC NameN-[4-cyano-2-[(2-methylphenyl)sulfonylamino]phenyl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1ccc(C#N)cc1NS(=O)(=O)c1ccccc1C
InChIInChI=1S/C21H19N3O4S2/c1-15-7-3-5-9-20(15)29(25,26)23-18-12-11-17(14-22)13-19(18)24-30(27,28)21-10-6-4-8-16(21)2/h3-13,23-24H,1-2H3
InChIKeyYZFBPXGEABTCSC-UHFFFAOYSA-N
XLogP3.78
TPSA116.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-cyano-2-[(2-methylphenyl)sulfonylamino]phenyl]-2-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-aminophenyl)-4-cyano-2-methylbenzenesulfonamide
CID 106996452
2-chloro-4-cyano-N-(2-methylphenyl)benzenesulfonamide
CID 103988459
1-[2-(benzenesulfonamido)-4-cyanophenyl]-3-(2-methylphenyl)urea
CID 22011348
N-(4-amino-2-methylphenyl)-4-cyano-2-methylbenzenesulfonamide
CID 106996447
5-bromo-N-(2-bromo-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 61217646
N-[2-(methanesulfonamido)phenyl]-2-methylbenzenesulfonamide
CID 113093452
N-[4-cyano-2-[(2,4-difluorophenyl)sulfonylamino]phenyl]-2,4-difluorobenzenesulfonamide
CID 70140206
4-cyano-N-(2-hydroxy-6-methylphenyl)-2-methylbenzenesulfonamide
CID 103930776
5-bromo-N-(2-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 103791841
4-amino-N-(2-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 107806959
N-(2-bromo-5-methylphenyl)-4-cyano-2-methylbenzenesulfonamide
CID 103866062
N-(2-bromo-4-chlorophenyl)-4-cyano-2-methylbenzenesulfonamide
CID 103773290

Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-2-[(2-methylphenyl)sulfonylamino]phenyl]-2-methylbenzenesulfonamide?
The IUPAC name of N-[4-cyano-2-[(2-methylphenyl)sulfonylamino]phenyl]-2-methylbenzenesulfonamide (CID 118497699) is N-[4-cyano-2-[(2-methylphenyl)sulfonylamino]phenyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-cyano-2-[(2-methylphenyl)sulfonylamino]phenyl]-2-methylbenzenesulfonamide?
The canonical SMILES for N-[4-cyano-2-[(2-methylphenyl)sulfonylamino]phenyl]-2-methylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)Nc1ccc(C#N)cc1NS(=O)(=O)c1ccccc1C.
What is the InChIKey of N-[4-cyano-2-[(2-methylphenyl)sulfonylamino]phenyl]-2-methylbenzenesulfonamide?
The InChIKey is YZFBPXGEABTCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4S2/c1-15-7-3-5-9-20(15)29(25,26)23-18-12-11-17(14-22)13-19(18)24-30(27,28)21-10-6-4-8-16(21)2/h3-13,23-24H,1-2H3.
What are the key properties of N-[4-cyano-2-[(2-methylphenyl)sulfonylamino]phenyl]-2-methylbenzenesulfonamide?
N-[4-cyano-2-[(2-methylphenyl)sulfonylamino]phenyl]-2-methylbenzenesulfonamide has a molecular weight of 441.53 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-2-[(2-methylphenyl)sulfonylamino]phenyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 118497699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).