N-(2-amino-1-phenylethyl)-4-methylbenzenesulfonamide

C15H18N2O2S — CID 18003405

IUPACN-(2-amino-1-phenylethyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(CN)c2ccccc2)cc1
InChIInChI=1S/C15H18N2O2S/c1-12-7-9-14(10-8-12)20(18,19)17-15(11-16)13-5-3-2-4-6-13/h2-10,15,17H,11,16H2,1H3
InChIKeyUUOHXKKGPXKDOG-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.97
Rot. Bonds5

About N-(2-amino-1-phenylethyl)-4-methylbenzenesulfonamide

N-(2-amino-1-phenylethyl)-4-methylbenzenesulfonamide (PubChem CID 18003405) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-(2-amino-1-phenylethyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-phenylethyl)-4-methylbenzenesulfonamide
PubChem CID18003405
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-(2-amino-1-phenylethyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(CN)c2ccccc2)cc1
InChIInChI=1S/C15H18N2O2S/c1-12-7-9-14(10-8-12)20(18,19)17-15(11-16)13-5-3-2-4-6-13/h2-10,15,17H,11,16H2,1H3
InChIKeyUUOHXKKGPXKDOG-UHFFFAOYSA-N
XLogP1.97
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(3-oxo-1-phenylpropyl)benzenesulfonamide
CID 16743861
N-(3-chloro-1-phenylpropyl)-4-methylbenzenesulfonamide
CID 4961653
N-[2-amino-1-(4-phenylphenyl)ethyl]-4-chlorobenzenesulfonamide
CID 139608957
N-(3-chloro-1-phenylbut-3-enyl)-4-methylbenzenesulfonamide
CID 101424945
[2-[(4-methylphenyl)sulfonylamino]-2-phenylethyl] propanoate
CID 122211844
N-[(1S)-4-chloro-3-oxo-1-phenylbutyl]-4-methylbenzenesulfonamide
CID 134499747
N-[(Z,1R)-1,4-diphenylbut-3-enyl]-4-methylbenzenesulfonamide
CID 11696524
4-methyl-N-(1-phenyl-4-phenylsulfanylpentyl)benzenesulfonamide
CID 152503716
ethyl 5-[(4-methylphenyl)sulfonylamino]-3-oxo-5-phenylpentanoate
CID 102079264
4-methyl-N-[1-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]benzenesulfonamide
CID 102133707
ethyl (2R)-2-[(2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylethyl]pentanoate
CID 102462805
N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-4-methylbenzenesulfonamide
CID 101415402

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-phenylethyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(2-amino-1-phenylethyl)-4-methylbenzenesulfonamide (CID 18003405) is N-(2-amino-1-phenylethyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-amino-1-phenylethyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2-amino-1-phenylethyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC(CN)c2ccccc2)cc1.
What is the InChIKey of N-(2-amino-1-phenylethyl)-4-methylbenzenesulfonamide?
The InChIKey is UUOHXKKGPXKDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-12-7-9-14(10-8-12)20(18,19)17-15(11-16)13-5-3-2-4-6-13/h2-10,15,17H,11,16H2,1H3.
What are the key properties of N-(2-amino-1-phenylethyl)-4-methylbenzenesulfonamide?
N-(2-amino-1-phenylethyl)-4-methylbenzenesulfonamide has a molecular weight of 290.39 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-phenylethyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 18003405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).