3-(aminomethyl)-N-(2-chlorophenyl)-4-methylbenzenesulfonamide

C14H15ClN2O2S — CID 106061930

IUPAC3-(aminomethyl)-N-(2-chlorophenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1CN
InChIInChI=1S/C14H15ClN2O2S/c1-10-6-7-12(8-11(10)9-16)20(18,19)17-14-5-3-2-4-13(14)15/h2-8,17H,9,16H2,1H3
InChIKeyJDEKBZCIQNBFEY-UHFFFAOYSA-N
MW310.81 g/mol
LogP2.91
Rot. Bonds4

About 3-(aminomethyl)-N-(2-chlorophenyl)-4-methylbenzenesulfonamide

3-(aminomethyl)-N-(2-chlorophenyl)-4-methylbenzenesulfonamide (PubChem CID 106061930) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2-chlorophenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2-chlorophenyl)-4-methylbenzenesulfonamide
PubChem CID106061930
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name3-(aminomethyl)-N-(2-chlorophenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1CN
InChIInChI=1S/C14H15ClN2O2S/c1-10-6-7-12(8-11(10)9-16)20(18,19)17-14-5-3-2-4-13(14)15/h2-8,17H,9,16H2,1H3
InChIKeyJDEKBZCIQNBFEY-UHFFFAOYSA-N
XLogP2.91
TPSA72.19 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 ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(2-chlorophenyl)-3-methylbenzenesulfonamide
CID 839413
3-(aminomethyl)-N-(3-bromo-2-methylphenyl)-4-methylbenzenesulfonamide
CID 106088180
3-(aminomethyl)-N-(3-chloro-2-methylphenyl)-4-fluorobenzenesulfonamide
CID 28717015
3-(aminomethyl)-N-(2-bromo-3-methylphenyl)-4-chlorobenzenesulfonamide
CID 106073917
N-[2-(aminomethyl)phenyl]-3-bromo-4-chlorobenzenesulfonamide
CID 106606716
3-chloro-N-(2-chlorophenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 106061900
5-(aminomethyl)-N-(2-chlorophenyl)-2,3-dimethylbenzenesulfonamide
CID 106061933
4-(aminomethyl)-3-chloro-N-(2-chloro-6-methylphenyl)benzenesulfonamide
CID 106070735
3-(aminomethyl)-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide
CID 107482637
3-(aminomethyl)-N-(4-ethylphenyl)-4-methylbenzenesulfonamide
CID 107236787
N-[2-(aminomethyl)phenyl]-3-chlorobenzenesulfonamide
CID 64897005
N-[2-(chloromethyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 65030743

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2-chlorophenyl)-4-methylbenzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-(2-chlorophenyl)-4-methylbenzenesulfonamide (CID 106061930) is 3-(aminomethyl)-N-(2-chlorophenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-(2-chlorophenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-(2-chlorophenyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1CN.
What is the InChIKey of 3-(aminomethyl)-N-(2-chlorophenyl)-4-methylbenzenesulfonamide?
The InChIKey is JDEKBZCIQNBFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-10-6-7-12(8-11(10)9-16)20(18,19)17-14-5-3-2-4-13(14)15/h2-8,17H,9,16H2,1H3.
What are the key properties of 3-(aminomethyl)-N-(2-chlorophenyl)-4-methylbenzenesulfonamide?
3-(aminomethyl)-N-(2-chlorophenyl)-4-methylbenzenesulfonamide has a molecular weight of 310.81 g/mol, XLogP of 2.91, 4 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)-4-methylbenzenesulfonamide is sourced from PubChem (CID 106061930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).