5-(benzenesulfonyl)-1-phenylpent-4-en-1-amine

C17H19NO2S — CID 67565575

IUPAC5-(benzenesulfonyl)-1-phenylpent-4-en-1-amine
SMILESNC(CCC=CS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO2S/c18-17(15-9-3-1-4-10-15)13-7-8-14-21(19,20)16-11-5-2-6-12-16/h1-6,8-12,14,17H,7,13,18H2
InChIKeyYRXWFIFTLAZNIY-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.45
Rot. Bonds6

About 5-(benzenesulfonyl)-1-phenylpent-4-en-1-amine

5-(benzenesulfonyl)-1-phenylpent-4-en-1-amine (PubChem CID 67565575) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-1-phenylpent-4-en-1-amine.

Molecular Properties

Compound Name5-(benzenesulfonyl)-1-phenylpent-4-en-1-amine
PubChem CID67565575
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name5-(benzenesulfonyl)-1-phenylpent-4-en-1-amine
SMILESNC(CCC=CS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO2S/c18-17(15-9-3-1-4-10-15)13-7-8-14-21(19,20)16-11-5-2-6-12-16/h1-6,8-12,14,17H,7,13,18H2
InChIKeyYRXWFIFTLAZNIY-UHFFFAOYSA-N
XLogP3.45
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(benzenesulfonyl)-1-phenylpent-4-en-1-amine 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

3-amino-3-phenylpropane-1-sulfonic acid
CID 11976922
[(1Z,7E,9Z)-undeca-1,7,9-trienyl]sulfonylbenzene
CID 134980499
[(E)-4-(benzenesulfonyl)but-3-enoxy]methylbenzene
CID 10086281
[(E)-4,4-dimethylpent-1-enyl]sulfonylbenzene
CID 101203977
[(E)-4-deuteriobut-1-enyl]sulfonylbenzene
CID 10655536
(E,5S)-7-(benzenesulfonyl)hept-6-ene-1,5-diamine
CID 10400852
(E,3R)-5-amino-1-(benzenesulfonyl)pent-1-en-3-ol
CID 10926321
(2E,4Z)-5-(benzenesulfonyl)penta-2,4-dien-1-ol
CID 100930005
[(E)-4-(benzenesulfonyl)-1-phenylbut-3-enoxy]-tert-butyl-dimethylsilane
CID 15534325
[(E)-3-(benzenesulfonyl)-1-phenylprop-2-enoxy]methylbenzene
CID 134898677
N-(3-amino-3-phenylpropyl)-2-chlorobenzenesulfonamide
CID 80505183
methyl (E)-4-(benzenesulfonyl)but-3-enoate
CID 134877326

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-1-phenylpent-4-en-1-amine?
The IUPAC name of 5-(benzenesulfonyl)-1-phenylpent-4-en-1-amine (CID 67565575) is 5-(benzenesulfonyl)-1-phenylpent-4-en-1-amine.
What is the SMILES notation for 5-(benzenesulfonyl)-1-phenylpent-4-en-1-amine?
The canonical SMILES for 5-(benzenesulfonyl)-1-phenylpent-4-en-1-amine is NC(CCC=CS(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 5-(benzenesulfonyl)-1-phenylpent-4-en-1-amine?
The InChIKey is YRXWFIFTLAZNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c18-17(15-9-3-1-4-10-15)13-7-8-14-21(19,20)16-11-5-2-6-12-16/h1-6,8-12,14,17H,7,13,18H2.
What are the key properties of 5-(benzenesulfonyl)-1-phenylpent-4-en-1-amine?
5-(benzenesulfonyl)-1-phenylpent-4-en-1-amine has a molecular weight of 301.41 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-1-phenylpent-4-en-1-amine is sourced from PubChem (CID 67565575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).