N-(3-chloro-4-methylphenyl)-4-(methylamino)benzenesulfonamide

C14H15ClN2O2S — CID 43332040

IUPACN-(3-chloro-4-methylphenyl)-4-(methylamino)benzenesulfonamide
SMILESCNc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C14H15ClN2O2S/c1-10-3-4-12(9-14(10)15)17-20(18,19)13-7-5-11(16-2)6-8-13/h3-9,16-17H,1-2H3
InChIKeyVLYJTPCTZYGJCA-UHFFFAOYSA-N
MW310.81 g/mol
LogP3.49
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-4-(methylamino)benzenesulfonamide

N-(3-chloro-4-methylphenyl)-4-(methylamino)benzenesulfonamide (PubChem CID 43332040) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-4-(methylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-4-(methylamino)benzenesulfonamide
PubChem CID43332040
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC NameN-(3-chloro-4-methylphenyl)-4-(methylamino)benzenesulfonamide
SMILESCNc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C14H15ClN2O2S/c1-10-3-4-12(9-14(10)15)17-20(18,19)13-7-5-11(16-2)6-8-13/h3-9,16-17H,1-2H3
InChIKeyVLYJTPCTZYGJCA-UHFFFAOYSA-N
XLogP3.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-chloro-4-methylphenyl)-4-(methylamino)benzenesulfonamide 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

4-chloro-N-(3-chloro-4-methylphenyl)-3-methylbenzenesulfonamide
CID 16644802
N-(3-chloro-4-methylphenyl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzenesulfonamide
CID 126416212
N-(3-bromo-4-methylphenyl)-4-(methylamino)benzenesulfonamide
CID 63334960
4-[(3-chloro-4-methylphenyl)sulfamoyl]benzenecarbothioamide
CID 30057456
6-amino-N-(3-chloro-4-methylphenyl)pyridine-3-sulfonamide
CID 62164219
3-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-methylbenzenesulfonamide
CID 5019779
4-N-(3,4-dimethylphenyl)-1-N-methylbenzene-1,4-disulfonamide
CID 46555814
N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-iodobenzamide
CID 3955566
N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-2-nitrobenzenesulfonamide
CID 2176221
4-(benzenesulfonamido)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]benzamide
CID 126416723
N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 22202667
N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 18891082

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-4-(methylamino)benzenesulfonamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-4-(methylamino)benzenesulfonamide (CID 43332040) is N-(3-chloro-4-methylphenyl)-4-(methylamino)benzenesulfonamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-4-(methylamino)benzenesulfonamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-4-(methylamino)benzenesulfonamide is CNc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-4-(methylamino)benzenesulfonamide?
The InChIKey is VLYJTPCTZYGJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-10-3-4-12(9-14(10)15)17-20(18,19)13-7-5-11(16-2)6-8-13/h3-9,16-17H,1-2H3.
What are the key properties of N-(3-chloro-4-methylphenyl)-4-(methylamino)benzenesulfonamide?
N-(3-chloro-4-methylphenyl)-4-(methylamino)benzenesulfonamide has a molecular weight of 310.81 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-4-(methylamino)benzenesulfonamide is sourced from PubChem (CID 43332040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).