N-(1,4-diphenylbutyl)propane-1-sulfonamide

C19H25NO2S — CID 60580802

IUPACN-(1,4-diphenylbutyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(CCCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H25NO2S/c1-2-16-23(21,22)20-19(18-13-7-4-8-14-18)15-9-12-17-10-5-3-6-11-17/h3-8,10-11,13-14,19-20H,2,9,12,15-16H2,1H3
InChIKeyJNDQNCRAICTECN-UHFFFAOYSA-N
MW331.48 g/mol
LogP4.08
Rot. Bonds9

About N-(1,4-diphenylbutyl)propane-1-sulfonamide

N-(1,4-diphenylbutyl)propane-1-sulfonamide (PubChem CID 60580802) has the molecular formula C19H25NO2S and a molecular weight of 331.48 g/mol. Its IUPAC name is N-(1,4-diphenylbutyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(1,4-diphenylbutyl)propane-1-sulfonamide
PubChem CID60580802
Molecular FormulaC19H25NO2S
Molecular Weight331.48 g/mol
Exact Mass331.16
IUPAC NameN-(1,4-diphenylbutyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(CCCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H25NO2S/c1-2-16-23(21,22)20-19(18-13-7-4-8-14-18)15-9-12-17-10-5-3-6-11-17/h3-8,10-11,13-14,19-20H,2,9,12,15-16H2,1H3
InChIKeyJNDQNCRAICTECN-UHFFFAOYSA-N
XLogP4.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1,4-diphenylbutyl)propane-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-hydroxy-1-phenylbutyl)propane-1-sulfonamide
CID 111448436
3-phenyl-N-(1-phenylethyl)propane-1-sulfonamide
CID 110755445
N-[(1R)-3-hydroxy-1-phenylpropyl]ethanesulfonamide
CID 111448440
N-[1-phenyl-2-(triazol-2-yl)ethyl]propane-1-sulfonamide
CID 121176556
1-phenyl-N-(3-phenylpropyl)butan-1-amine;hydrochloride
CID 3027694
4-(methylamino)-N-(1-phenylpropyl)butane-1-sulfonamide
CID 106055066
N-ethyl-1-(4-methylphenyl)-4-phenylbutan-1-amine
CID 63411938
N-[(1R)-3-hydroxy-1-phenylpropyl]-2-methylbutane-1-sulfonamide
CID 111448439
4-(4-chlorophenyl)-1-phenyl-N-propylbutan-1-amine
CID 64502036
N-[1-(4-hydroxy-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyran-3-yl)butyl]-3-phenylpropane-1-sulfonamide
CID 67713168
N-(1,4-diphenylbutyl)-3-ethoxypropanamide
CID 56502280
N-[(1R)-1-phenylpentyl]pyridine-2-sulfonamide
CID 101377427

Frequently Asked Questions

What is the IUPAC name of N-(1,4-diphenylbutyl)propane-1-sulfonamide?
The IUPAC name of N-(1,4-diphenylbutyl)propane-1-sulfonamide (CID 60580802) is N-(1,4-diphenylbutyl)propane-1-sulfonamide.
What is the SMILES notation for N-(1,4-diphenylbutyl)propane-1-sulfonamide?
The canonical SMILES for N-(1,4-diphenylbutyl)propane-1-sulfonamide is CCCS(=O)(=O)NC(CCCc1ccccc1)c1ccccc1.
What is the InChIKey of N-(1,4-diphenylbutyl)propane-1-sulfonamide?
The InChIKey is JNDQNCRAICTECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2S/c1-2-16-23(21,22)20-19(18-13-7-4-8-14-18)15-9-12-17-10-5-3-6-11-17/h3-8,10-11,13-14,19-20H,2,9,12,15-16H2,1H3.
What are the key properties of N-(1,4-diphenylbutyl)propane-1-sulfonamide?
N-(1,4-diphenylbutyl)propane-1-sulfonamide has a molecular weight of 331.48 g/mol, XLogP of 4.08, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-diphenylbutyl)propane-1-sulfonamide is sourced from PubChem (CID 60580802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).