N-[(4-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide

C17H21NO2S — CID 113098105

IUPACN-[(4-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)CCCc2ccccc2)cc1
InChIInChI=1S/C17H21NO2S/c1-15-9-11-17(12-10-15)14-18-21(19,20)13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12,18H,5,8,13-14H2,1H3
InChIKeyOPUHAZXCPRJKFX-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.05
Rot. Bonds7

About N-[(4-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide

N-[(4-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide (PubChem CID 113098105) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide
PubChem CID113098105
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC NameN-[(4-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)CCCc2ccccc2)cc1
InChIInChI=1S/C17H21NO2S/c1-15-9-11-17(12-10-15)14-18-21(19,20)13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12,18H,5,8,13-14H2,1H3
InChIKeyOPUHAZXCPRJKFX-UHFFFAOYSA-N
XLogP3.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-methoxy-3-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide
CID 110779830
4-[(4-methylphenyl)methylsulfamoyl]butanoic acid
CID 28513518
N-[(4-methylphenyl)methylsulfamoyl]-1-phenylmethanamine
CID 1488551
N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3-phenylpropane-1-sulfonamide
CID 110666154
N-benzylpentadecane-1-sulfonamide
CID 14025944
N-[(3-methoxyphenyl)methyl]-3-phenylpropane-1-sulfonamide
CID 110779943
N-[[4-(bromomethyl)phenyl]methyl]-2-phenylethanesulfonamide
CID 107233959
N-benzyl-4-chlorobutane-1-sulfonamide
CID 116814854
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide
CID 110324721
3-phenyl-N-(thiophen-2-ylmethyl)propane-1-sulfonamide
CID 110779514
N-[2-(4-methylphenyl)ethyl]-1-phenylmethanesulfonamide
CID 110787220
N-[4-(4-methylphenyl)butyl]butane-1-sulfonamide
CID 110288710

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide (CID 113098105) is N-[(4-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide is Cc1ccc(CNS(=O)(=O)CCCc2ccccc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide?
The InChIKey is OPUHAZXCPRJKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-15-9-11-17(12-10-15)14-18-21(19,20)13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12,18H,5,8,13-14H2,1H3.
What are the key properties of N-[(4-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide?
N-[(4-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide has a molecular weight of 303.43 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide is sourced from PubChem (CID 113098105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).