3-(aminomethyl)-4-methyl-N-(1-phenylethyl)benzenesulfonamide

C16H20N2O2S — CID 106036342

IUPAC3-(aminomethyl)-4-methyl-N-(1-phenylethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)c2ccccc2)cc1CN
InChIInChI=1S/C16H20N2O2S/c1-12-8-9-16(10-15(12)11-17)21(19,20)18-13(2)14-6-4-3-5-7-14/h3-10,13,18H,11,17H2,1-2H3
InChIKeyNRRCGNGVKIZKNS-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.49
Rot. Bonds5

About 3-(aminomethyl)-4-methyl-N-(1-phenylethyl)benzenesulfonamide

3-(aminomethyl)-4-methyl-N-(1-phenylethyl)benzenesulfonamide (PubChem CID 106036342) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-(aminomethyl)-4-methyl-N-(1-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-4-methyl-N-(1-phenylethyl)benzenesulfonamide
PubChem CID106036342
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name3-(aminomethyl)-4-methyl-N-(1-phenylethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)c2ccccc2)cc1CN
InChIInChI=1S/C16H20N2O2S/c1-12-8-9-16(10-15(12)11-17)21(19,20)18-13(2)14-6-4-3-5-7-14/h3-10,13,18H,11,17H2,1-2H3
InChIKeyNRRCGNGVKIZKNS-UHFFFAOYSA-N
XLogP2.49
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 2408945
3-(aminomethyl)-4-methyl-N-pentan-2-ylbenzenesulfonamide
CID 106046576
3-(aminomethyl)-N-(3-ethylpentan-2-yl)-4-methylbenzenesulfonamide
CID 106063338
4-bromo-3-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 42998950
4-methyl-3-nitro-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 7322854
3-(aminomethyl)-4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 106390169
3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 2423667
3-(aminomethyl)-N-(1-cyclobutylethyl)-4-methylbenzenesulfonamide
CID 106084883
4-ethoxy-3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 7377815
3-(aminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)-4-methylbenzenesulfonamide
CID 106068777
3-amino-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 30079896
3,4-dichloro-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 7038002

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-methyl-N-(1-phenylethyl)benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-4-methyl-N-(1-phenylethyl)benzenesulfonamide (CID 106036342) is 3-(aminomethyl)-4-methyl-N-(1-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-4-methyl-N-(1-phenylethyl)benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-4-methyl-N-(1-phenylethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NC(C)c2ccccc2)cc1CN.
What is the InChIKey of 3-(aminomethyl)-4-methyl-N-(1-phenylethyl)benzenesulfonamide?
The InChIKey is NRRCGNGVKIZKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-12-8-9-16(10-15(12)11-17)21(19,20)18-13(2)14-6-4-3-5-7-14/h3-10,13,18H,11,17H2,1-2H3.
What are the key properties of 3-(aminomethyl)-4-methyl-N-(1-phenylethyl)benzenesulfonamide?
3-(aminomethyl)-4-methyl-N-(1-phenylethyl)benzenesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-methyl-N-(1-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 106036342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).