N-[(E)-4-phenylbut-3-enyl]butane-1-sulfonamide

C14H21NO2S — CID 110667617

IUPACN-[(E)-4-phenylbut-3-enyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC/C=C/c1ccccc1
InChIInChI=1S/C14H21NO2S/c1-2-3-13-18(16,17)15-12-8-7-11-14-9-5-4-6-10-14/h4-7,9-11,15H,2-3,8,12-13H2,1H3/b11-7+
InChIKeyPHSJQSJZDPDMBE-YRNVUSSQSA-N
MW267.39 g/mol
LogP2.81
Rot. Bonds8

About N-[(E)-4-phenylbut-3-enyl]butane-1-sulfonamide

N-[(E)-4-phenylbut-3-enyl]butane-1-sulfonamide (PubChem CID 110667617) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-[(E)-4-phenylbut-3-enyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[(E)-4-phenylbut-3-enyl]butane-1-sulfonamide
PubChem CID110667617
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-[(E)-4-phenylbut-3-enyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC/C=C/c1ccccc1
InChIInChI=1S/C14H21NO2S/c1-2-3-13-18(16,17)15-12-8-7-11-14-9-5-4-6-10-14/h4-7,9-11,15H,2-3,8,12-13H2,1H3/b11-7+
InChIKeyPHSJQSJZDPDMBE-YRNVUSSQSA-N
XLogP2.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(E)-4-phenylbut-3-enyl]butane-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-[(E)-4-phenylbut-3-enyl]pentanamide
CID 110667590
[(E)-octadec-1-enyl]benzene
CID 22722345
N-[(E)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)but-3-enyl]propane-1-sulfonamide
CID 110712192
N-(3-hydroxy-3-phenylpropyl)butane-1-sulfonamide
CID 111466269
ethane;[(E)-pent-1-enyl]benzene
CID 143265687
hex-1-enylbenzene;prop-1-ene
CID 157442084
oct-1-enylbenzene;phosphoric acid
CID 159316508
(2E,6Z)-N-decyl-7-phenylhepta-2,6-dienamide
CID 70372352
[(E)-4-phenylbut-3-enyl]carbamic acid
CID 22018485
N-decylbutane-1-sulfonamide
CID 19681427
N-benzylpentadecane-1-sulfonamide
CID 14025944
S-[(E)-3-phenylprop-2-enyl] N-butylcarbamothioate
CID 46854148

Frequently Asked Questions

What is the IUPAC name of N-[(E)-4-phenylbut-3-enyl]butane-1-sulfonamide?
The IUPAC name of N-[(E)-4-phenylbut-3-enyl]butane-1-sulfonamide (CID 110667617) is N-[(E)-4-phenylbut-3-enyl]butane-1-sulfonamide.
What is the SMILES notation for N-[(E)-4-phenylbut-3-enyl]butane-1-sulfonamide?
The canonical SMILES for N-[(E)-4-phenylbut-3-enyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCC/C=C/c1ccccc1.
What is the InChIKey of N-[(E)-4-phenylbut-3-enyl]butane-1-sulfonamide?
The InChIKey is PHSJQSJZDPDMBE-YRNVUSSQSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-2-3-13-18(16,17)15-12-8-7-11-14-9-5-4-6-10-14/h4-7,9-11,15H,2-3,8,12-13H2,1H3/b11-7+.
What are the key properties of N-[(E)-4-phenylbut-3-enyl]butane-1-sulfonamide?
N-[(E)-4-phenylbut-3-enyl]butane-1-sulfonamide has a molecular weight of 267.39 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-phenylbut-3-enyl]butane-1-sulfonamide is sourced from PubChem (CID 110667617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).