4-oxo-1-phenylbut-3-ene-1-sulfonamide

C10H11NO3S — CID 175734021

IUPAC4-oxo-1-phenylbut-3-ene-1-sulfonamide
SMILESNS(=O)(=O)C(CC=C=O)c1ccccc1
InChIInChI=1S/C10H11NO3S/c11-15(13,14)10(7-4-8-12)9-5-2-1-3-6-9/h1-6,10H,7H2,(H2,11,13,14)
InChIKeyNLHMDFOBRRQHBC-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.79
Rot. Bonds4

About 4-oxo-1-phenylbut-3-ene-1-sulfonamide

4-oxo-1-phenylbut-3-ene-1-sulfonamide (PubChem CID 175734021) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is 4-oxo-1-phenylbut-3-ene-1-sulfonamide.

Molecular Properties

Compound Name4-oxo-1-phenylbut-3-ene-1-sulfonamide
PubChem CID175734021
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC Name4-oxo-1-phenylbut-3-ene-1-sulfonamide
SMILESNS(=O)(=O)C(CC=C=O)c1ccccc1
InChIInChI=1S/C10H11NO3S/c11-15(13,14)10(7-4-8-12)9-5-2-1-3-6-9/h1-6,10H,7H2,(H2,11,13,14)
InChIKeyNLHMDFOBRRQHBC-UHFFFAOYSA-N
XLogP0.79
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1,2-diphenylethanesulfonamide
CID 15655609
(2R)-2-(benzenesulfonyl)-2-phenylethanamine
CID 9161755
2,2-diphenylethanesulfonamide
CID 68954742
[1-(benzenesulfonyl)-4-chloropent-3-enyl]benzene
CID 71383771
3-(4-methylphenyl)sulfonyl-3-phenylpropanal
CID 12538999
(1R,2S)-1,2-dibromo-2-phenylethanesulfonamide
CID 134937081
(2S)-2-phenyl-2-sulfamoylacetic acid
CID 124582466
(2S)-2-(4-fluorophenyl)sulfonyl-2-phenylethanamine
CID 9161758
(2R)-2-(4-chlorophenyl)sulfonyl-2-phenylethanamine
CID 9161767
CID 131865305
CID 131865305
benzhydrylbenzene;isocyanic acid
CID 172798878
(2R)-2-phenyl-2-sulfamoylacetamide
CID 124507731

Frequently Asked Questions

What is the IUPAC name of 4-oxo-1-phenylbut-3-ene-1-sulfonamide?
The IUPAC name of 4-oxo-1-phenylbut-3-ene-1-sulfonamide (CID 175734021) is 4-oxo-1-phenylbut-3-ene-1-sulfonamide.
What is the SMILES notation for 4-oxo-1-phenylbut-3-ene-1-sulfonamide?
The canonical SMILES for 4-oxo-1-phenylbut-3-ene-1-sulfonamide is NS(=O)(=O)C(CC=C=O)c1ccccc1.
What is the InChIKey of 4-oxo-1-phenylbut-3-ene-1-sulfonamide?
The InChIKey is NLHMDFOBRRQHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3S/c11-15(13,14)10(7-4-8-12)9-5-2-1-3-6-9/h1-6,10H,7H2,(H2,11,13,14).
What are the key properties of 4-oxo-1-phenylbut-3-ene-1-sulfonamide?
4-oxo-1-phenylbut-3-ene-1-sulfonamide has a molecular weight of 225.27 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1-phenylbut-3-ene-1-sulfonamide is sourced from PubChem (CID 175734021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).