5-(aminomethyl)-N-(2-chlorophenyl)-2,3-dimethylbenzenesulfonamide

C15H17ClN2O2S — CID 106061933

IUPAC5-(aminomethyl)-N-(2-chlorophenyl)-2,3-dimethylbenzenesulfonamide
SMILESCc1cc(CN)cc(S(=O)(=O)Nc2ccccc2Cl)c1C
InChIInChI=1S/C15H17ClN2O2S/c1-10-7-12(9-17)8-15(11(10)2)21(19,20)18-14-6-4-3-5-13(14)16/h3-8,18H,9,17H2,1-2H3
InChIKeyMUMRNOPMGRERQQ-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.22
Rot. Bonds4

About 5-(aminomethyl)-N-(2-chlorophenyl)-2,3-dimethylbenzenesulfonamide

5-(aminomethyl)-N-(2-chlorophenyl)-2,3-dimethylbenzenesulfonamide (PubChem CID 106061933) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2-chlorophenyl)-2,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2-chlorophenyl)-2,3-dimethylbenzenesulfonamide
PubChem CID106061933
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name5-(aminomethyl)-N-(2-chlorophenyl)-2,3-dimethylbenzenesulfonamide
SMILESCc1cc(CN)cc(S(=O)(=O)Nc2ccccc2Cl)c1C
InChIInChI=1S/C15H17ClN2O2S/c1-10-7-12(9-17)8-15(11(10)2)21(19,20)18-14-6-4-3-5-13(14)16/h3-8,18H,9,17H2,1-2H3
InChIKeyMUMRNOPMGRERQQ-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 5-(aminomethyl)-N-(2-chlorophenyl)-2,3-dimethylbenzenesulfonamide 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

5-(aminomethyl)-N-(2-chlorophenyl)-2-methylthiophene-3-sulfonamide
CID 106061940
3-(aminomethyl)-N-(2-chlorophenyl)-4-methylbenzenesulfonamide
CID 106061930
4-(aminomethyl)-N-(2-chlorophenyl)thiophene-2-sulfonamide
CID 114141245
5-(aminomethyl)-N-(2,3-dimethylphenyl)-2-methylbenzenesulfonamide
CID 28717477
5-amino-2,3-dimethyl-N-(2-methylphenyl)benzenesulfonamide
CID 29288655
N-(2-chlorophenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 47148910
5-tert-butyl-N-(2-chlorophenyl)-2-methylbenzenesulfonamide
CID 7938602
N-(2-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 47308992
4-(aminomethyl)-N-(2-fluorophenyl)-2-methylbenzenesulfonamide
CID 106996572
5-(aminomethyl)-N-(2-chloro-4-fluorophenyl)-2-methylbenzenesulfonamide
CID 106029190
5-(aminomethyl)-3-bromo-2-methyl-N-phenylbenzenesulfonamide
CID 81488210
5-(aminomethyl)-2,3-dimethyl-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 106081824

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2-chlorophenyl)-2,3-dimethylbenzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(2-chlorophenyl)-2,3-dimethylbenzenesulfonamide (CID 106061933) is 5-(aminomethyl)-N-(2-chlorophenyl)-2,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2-chlorophenyl)-2,3-dimethylbenzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(2-chlorophenyl)-2,3-dimethylbenzenesulfonamide is Cc1cc(CN)cc(S(=O)(=O)Nc2ccccc2Cl)c1C.
What is the InChIKey of 5-(aminomethyl)-N-(2-chlorophenyl)-2,3-dimethylbenzenesulfonamide?
The InChIKey is MUMRNOPMGRERQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-10-7-12(9-17)8-15(11(10)2)21(19,20)18-14-6-4-3-5-13(14)16/h3-8,18H,9,17H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-(2-chlorophenyl)-2,3-dimethylbenzenesulfonamide?
5-(aminomethyl)-N-(2-chlorophenyl)-2,3-dimethylbenzenesulfonamide 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 5-(aminomethyl)-N-(2-chlorophenyl)-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 106061933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).