3-(aminomethyl)-N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide

C15H17ClN2O2S — CID 106023385

IUPAC3-(aminomethyl)-N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1CN
InChIInChI=1S/C15H17ClN2O2S/c1-11-2-7-15(8-13(11)9-17)21(19,20)18-10-12-3-5-14(16)6-4-12/h2-8,18H,9-10,17H2,1H3
InChIKeyUFIJBKHQLGQHIW-UHFFFAOYSA-N
MW324.83 g/mol
LogP2.59
Rot. Bonds5

About 3-(aminomethyl)-N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide

3-(aminomethyl)-N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide (PubChem CID 106023385) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide
PubChem CID106023385
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name3-(aminomethyl)-N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1CN
InChIInChI=1S/C15H17ClN2O2S/c1-11-2-7-15(8-13(11)9-17)21(19,20)18-10-12-3-5-14(16)6-4-12/h2-8,18H,9-10,17H2,1H3
InChIKeyUFIJBKHQLGQHIW-UHFFFAOYSA-N
XLogP2.59
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 19680628
N-[[4-(aminomethyl)phenyl]methyl]-4-chlorobenzenesulfonamide
CID 81089757
N-[(4-chlorophenyl)methyl]-4-cyano-3-methylbenzenesulfonamide
CID 106832854
4-chloro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
CID 18131225
3-chloro-N-[(3-chloro-4-methylphenyl)methyl]-4-methylbenzenesulfonamide
CID 3673362
3-chloro-N-[(4-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 26945724
3-(aminomethyl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 106055024
3-(aminomethyl)-4-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106423936
N-[[4-(aminomethyl)phenyl]methyl]-3-chlorobenzenesulfonamide
CID 81090139
5-(aminomethyl)-N-[(4-chlorophenyl)methyl]thiophene-3-sulfonamide
CID 106023109
3-(aminomethyl)-N-(4-ethylphenyl)-4-methylbenzenesulfonamide
CID 107236787
3-chloro-N-[(4-chlorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 37476599

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide (CID 106023385) is 3-(aminomethyl)-N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1CN.
What is the InChIKey of 3-(aminomethyl)-N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide?
The InChIKey is UFIJBKHQLGQHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-11-2-7-15(8-13(11)9-17)21(19,20)18-10-12-3-5-14(16)6-4-12/h2-8,18H,9-10,17H2,1H3.
What are the key properties of 3-(aminomethyl)-N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide?
3-(aminomethyl)-N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide has a molecular weight of 324.83 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 106023385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).