N-(2,5-dichlorophenyl)-4-(methylamino)benzenesulfonamide

C13H12Cl2N2O2S — CID 43332038

IUPACN-(2,5-dichlorophenyl)-4-(methylamino)benzenesulfonamide
SMILESCNc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C13H12Cl2N2O2S/c1-16-10-3-5-11(6-4-10)20(18,19)17-13-8-9(14)2-7-12(13)15/h2-8,16-17H,1H3
InChIKeyTWAFPMJNBXNBMR-UHFFFAOYSA-N
MW331.22 g/mol
LogP3.84
Rot. Bonds4

About N-(2,5-dichlorophenyl)-4-(methylamino)benzenesulfonamide

N-(2,5-dichlorophenyl)-4-(methylamino)benzenesulfonamide (PubChem CID 43332038) has the molecular formula C13H12Cl2N2O2S and a molecular weight of 331.22 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-4-(methylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-4-(methylamino)benzenesulfonamide
PubChem CID43332038
Molecular FormulaC13H12Cl2N2O2S
Molecular Weight331.22 g/mol
Exact Mass330.00
IUPAC NameN-(2,5-dichlorophenyl)-4-(methylamino)benzenesulfonamide
SMILESCNc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C13H12Cl2N2O2S/c1-16-10-3-5-11(6-4-10)20(18,19)17-13-8-9(14)2-7-12(13)15/h2-8,16-17H,1H3
InChIKeyTWAFPMJNBXNBMR-UHFFFAOYSA-N
XLogP3.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2,5-dichlorophenyl)-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-amino-N-(2,5-dichlorophenyl)benzenesulfonamide
CID 28590083
4-[(2,5-dichlorophenyl)sulfamoyl]-N,N-dimethylbenzamide
CID 110676923
5-chloro-N-(2,5-dichlorophenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 64606214
N-(3-chloro-4-methylphenyl)-4-(methylamino)benzenesulfonamide
CID 43332040
4-amino-3-bromo-N-(2,5-dichlorophenyl)benzenesulfonamide
CID 62057861
4-bromo-N-(2,5-dichlorophenyl)-3-fluorobenzenesulfonamide
CID 97161953
N-(2,5-dichlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 19109274
N-methyl-4-(methylamino)benzenesulfonamide
CID 15049669
N-(2,4-dichlorophenyl)-4-methylsulfonylbenzenesulfonamide
CID 46534846
N-[4-chloro-3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 169373284
N-(2,5-dibromophenyl)-4-(methylamino)benzenesulfonamide
CID 61468471
N-(2,5-dichlorophenyl)pyridine-3-sulfonamide
CID 16638548

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-4-(methylamino)benzenesulfonamide?
The IUPAC name of N-(2,5-dichlorophenyl)-4-(methylamino)benzenesulfonamide (CID 43332038) is N-(2,5-dichlorophenyl)-4-(methylamino)benzenesulfonamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-4-(methylamino)benzenesulfonamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-4-(methylamino)benzenesulfonamide is CNc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of N-(2,5-dichlorophenyl)-4-(methylamino)benzenesulfonamide?
The InChIKey is TWAFPMJNBXNBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2S/c1-16-10-3-5-11(6-4-10)20(18,19)17-13-8-9(14)2-7-12(13)15/h2-8,16-17H,1H3.
What are the key properties of N-(2,5-dichlorophenyl)-4-(methylamino)benzenesulfonamide?
N-(2,5-dichlorophenyl)-4-(methylamino)benzenesulfonamide has a molecular weight of 331.22 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-4-(methylamino)benzenesulfonamide is sourced from PubChem (CID 43332038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).