N-(3-amino-4-methylphenyl)-3-phenylpropane-1-sulfonamide

C16H20N2O2S — CID 39433050

IUPACN-(3-amino-4-methylphenyl)-3-phenylpropane-1-sulfonamide
SMILESCc1ccc(NS(=O)(=O)CCCc2ccccc2)cc1N
InChIInChI=1S/C16H20N2O2S/c1-13-9-10-15(12-16(13)17)18-21(19,20)11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12,18H,5,8,11,17H2,1H3
InChIKeyWPYKUZLHCCYBJY-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.95
Rot. Bonds6

About N-(3-amino-4-methylphenyl)-3-phenylpropane-1-sulfonamide

N-(3-amino-4-methylphenyl)-3-phenylpropane-1-sulfonamide (PubChem CID 39433050) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-(3-amino-4-methylphenyl)-3-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-methylphenyl)-3-phenylpropane-1-sulfonamide
PubChem CID39433050
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-(3-amino-4-methylphenyl)-3-phenylpropane-1-sulfonamide
SMILESCc1ccc(NS(=O)(=O)CCCc2ccccc2)cc1N
InChIInChI=1S/C16H20N2O2S/c1-13-9-10-15(12-16(13)17)18-21(19,20)11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12,18H,5,8,11,17H2,1H3
InChIKeyWPYKUZLHCCYBJY-UHFFFAOYSA-N
XLogP2.95
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-4-methylphenyl)-2-phenylethanesulfonamide
CID 39395711
N-[4-(butylamino)phenyl]-3-phenylpropane-1-sulfonamide
CID 112980309
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-phenylpropane-1-sulfonamide
CID 110724188
N-[4-(3-phenylpropylamino)phenyl]propane-1-sulfonamide
CID 112984765
3-amino-N-(3,4-dimethylphenyl)propane-1-sulfonamide
CID 60909550
phenyl N-(3-amino-4-methylphenyl)sulfamate
CID 175312801
2-methyl-4-N-(3-phenylpropyl)benzene-1,4-diamine
CID 54931234
N-(3-amino-4-methylphenyl)-2-methylbenzenesulfonamide
CID 39375386
N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-3-phenylpropane-1-sulfonamide
CID 113026569
N-(3,4-dimethylphenyl)-3-hydroxypropane-1-sulfonamide
CID 94688171
2-methyl-3-(3-phenylpropylsulfonyl)aniline
CID 81190311
N-(3-bromo-4-methylphenyl)-1-phenylmethanesulfonamide
CID 55202713

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylphenyl)-3-phenylpropane-1-sulfonamide?
The IUPAC name of N-(3-amino-4-methylphenyl)-3-phenylpropane-1-sulfonamide (CID 39433050) is N-(3-amino-4-methylphenyl)-3-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-(3-amino-4-methylphenyl)-3-phenylpropane-1-sulfonamide?
The canonical SMILES for N-(3-amino-4-methylphenyl)-3-phenylpropane-1-sulfonamide is Cc1ccc(NS(=O)(=O)CCCc2ccccc2)cc1N.
What is the InChIKey of N-(3-amino-4-methylphenyl)-3-phenylpropane-1-sulfonamide?
The InChIKey is WPYKUZLHCCYBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-13-9-10-15(12-16(13)17)18-21(19,20)11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12,18H,5,8,11,17H2,1H3.
What are the key properties of N-(3-amino-4-methylphenyl)-3-phenylpropane-1-sulfonamide?
N-(3-amino-4-methylphenyl)-3-phenylpropane-1-sulfonamide has a molecular weight of 304.42 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylphenyl)-3-phenylpropane-1-sulfonamide is sourced from PubChem (CID 39433050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).