4-chloro-3-[(3,4-dimethylphenyl)methylamino]benzenesulfonamide

C15H17ClN2O2S — CID 43791004

IUPAC4-chloro-3-[(3,4-dimethylphenyl)methylamino]benzenesulfonamide
SMILESCc1ccc(CNc2cc(S(N)(=O)=O)ccc2Cl)cc1C
InChIInChI=1S/C15H17ClN2O2S/c1-10-3-4-12(7-11(10)2)9-18-15-8-13(21(17,19)20)5-6-14(15)16/h3-8,18H,9H2,1-2H3,(H2,17,19,20)
InChIKeyDAFHMZPQXPSJGA-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.22
Rot. Bonds4

About 4-chloro-3-[(3,4-dimethylphenyl)methylamino]benzenesulfonamide

4-chloro-3-[(3,4-dimethylphenyl)methylamino]benzenesulfonamide (PubChem CID 43791004) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 4-chloro-3-[(3,4-dimethylphenyl)methylamino]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-[(3,4-dimethylphenyl)methylamino]benzenesulfonamide
PubChem CID43791004
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name4-chloro-3-[(3,4-dimethylphenyl)methylamino]benzenesulfonamide
SMILESCc1ccc(CNc2cc(S(N)(=O)=O)ccc2Cl)cc1C
InChIInChI=1S/C15H17ClN2O2S/c1-10-3-4-12(7-11(10)2)9-18-15-8-13(21(17,19)20)5-6-14(15)16/h3-8,18H,9H2,1-2H3,(H2,17,19,20)
InChIKeyDAFHMZPQXPSJGA-UHFFFAOYSA-N
XLogP3.22
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-chloro-3-[(3,4-dimethylphenyl)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-3-[(4-methoxyphenyl)methylamino]benzenesulfonamide
CID 43745796
2,5-dichloro-N-[(3,4-dimethylphenyl)methyl]aniline
CID 43757200
4-chloro-3-[(1-methylpyrrol-3-yl)methylamino]benzenesulfonamide
CID 66400436
2-chloro-N-[(3,4-dimethylphenyl)methyl]-5-nitroaniline
CID 43785643
N-[(3-bromo-4-chlorophenyl)methyl]-2-methyl-5-methylsulfonylaniline
CID 83232437
3-[(4-bromo-3-fluorophenyl)methylamino]-4-methylbenzenesulfonamide
CID 81432174
3-[(3,4-dimethylphenyl)methylamino]-2-methylbenzenesulfonamide
CID 60933450
2-chloro-N-[(4-methylphenyl)methyl]-5-methylsulfonylaniline
CID 43682080
4-methyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide
CID 43744201
methyl 4-chloro-3-[(3,4-dimethylphenyl)methylamino]benzoate
CID 43784636
4-chloro-3-(3-methylsulfanylpropylamino)benzenesulfonamide
CID 43745778
4-chloro-3-[(5-fluoro-2-hydroxyphenyl)methylamino]benzenesulfonamide
CID 107694382

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(3,4-dimethylphenyl)methylamino]benzenesulfonamide?
The IUPAC name of 4-chloro-3-[(3,4-dimethylphenyl)methylamino]benzenesulfonamide (CID 43791004) is 4-chloro-3-[(3,4-dimethylphenyl)methylamino]benzenesulfonamide.
What is the SMILES notation for 4-chloro-3-[(3,4-dimethylphenyl)methylamino]benzenesulfonamide?
The canonical SMILES for 4-chloro-3-[(3,4-dimethylphenyl)methylamino]benzenesulfonamide is Cc1ccc(CNc2cc(S(N)(=O)=O)ccc2Cl)cc1C.
What is the InChIKey of 4-chloro-3-[(3,4-dimethylphenyl)methylamino]benzenesulfonamide?
The InChIKey is DAFHMZPQXPSJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-10-3-4-12(7-11(10)2)9-18-15-8-13(21(17,19)20)5-6-14(15)16/h3-8,18H,9H2,1-2H3,(H2,17,19,20).
What are the key properties of 4-chloro-3-[(3,4-dimethylphenyl)methylamino]benzenesulfonamide?
4-chloro-3-[(3,4-dimethylphenyl)methylamino]benzenesulfonamide has a molecular weight of 324.83 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(3,4-dimethylphenyl)methylamino]benzenesulfonamide is sourced from PubChem (CID 43791004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).