3-(aminomethyl)-N-[(2-chlorophenyl)methyl]benzenesulfonamide

C14H15ClN2O2S — CID 106058641

IUPAC3-(aminomethyl)-N-[(2-chlorophenyl)methyl]benzenesulfonamide
SMILESNCc1cccc(S(=O)(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C14H15ClN2O2S/c15-14-7-2-1-5-12(14)10-17-20(18,19)13-6-3-4-11(8-13)9-16/h1-8,17H,9-10,16H2
InChIKeyJPDUGPVMIOOYMG-UHFFFAOYSA-N
MW310.81 g/mol
LogP2.28
Rot. Bonds5

About 3-(aminomethyl)-N-[(2-chlorophenyl)methyl]benzenesulfonamide

3-(aminomethyl)-N-[(2-chlorophenyl)methyl]benzenesulfonamide (PubChem CID 106058641) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[(2-chlorophenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[(2-chlorophenyl)methyl]benzenesulfonamide
PubChem CID106058641
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name3-(aminomethyl)-N-[(2-chlorophenyl)methyl]benzenesulfonamide
SMILESNCc1cccc(S(=O)(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C14H15ClN2O2S/c15-14-7-2-1-5-12(14)10-17-20(18,19)13-6-3-4-11(8-13)9-16/h1-8,17H,9-10,16H2
InChIKeyJPDUGPVMIOOYMG-UHFFFAOYSA-N
XLogP2.28
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(aminomethyl)-N-[(2-chlorophenyl)methyl]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

N-[(2-chlorophenyl)methyl]-3-(methylaminomethyl)benzenesulfonamide
CID 106058600
N-[(2-chlorophenyl)methyl]-3-fluorobenzenesulfonamide
CID 3851131
N-[[3-(aminomethyl)phenyl]methyl]benzenesulfonamide
CID 43589421
5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-1H-pyrrole-3-sulfonamide
CID 106058647
3-bromo-4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 106610688
4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 2492101
3-chloro-N-[(2-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 3348028
3-amino-N-[(2-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 29269508
N-[[4-(aminomethyl)phenyl]methyl]-3-chlorobenzenesulfonamide
CID 81090139
2-[N-amino-3-(benzylsulfamoyl)anilino]-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 173228210
3-(aminomethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 106044391
4-N-[(2-chlorophenyl)methyl]-1-N-methylbenzene-1,4-disulfonamide
CID 58188904

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[(2-chlorophenyl)methyl]benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-[(2-chlorophenyl)methyl]benzenesulfonamide (CID 106058641) is 3-(aminomethyl)-N-[(2-chlorophenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-[(2-chlorophenyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-[(2-chlorophenyl)methyl]benzenesulfonamide is NCc1cccc(S(=O)(=O)NCc2ccccc2Cl)c1.
What is the InChIKey of 3-(aminomethyl)-N-[(2-chlorophenyl)methyl]benzenesulfonamide?
The InChIKey is JPDUGPVMIOOYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c15-14-7-2-1-5-12(14)10-17-20(18,19)13-6-3-4-11(8-13)9-16/h1-8,17H,9-10,16H2.
What are the key properties of 3-(aminomethyl)-N-[(2-chlorophenyl)methyl]benzenesulfonamide?
3-(aminomethyl)-N-[(2-chlorophenyl)methyl]benzenesulfonamide has a molecular weight of 310.81 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[(2-chlorophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 106058641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).