4-acetyl-N-pent-4-en-2-ylbenzenesulfonamide

C13H17NO3S — CID 113237505

IUPAC4-acetyl-N-pent-4-en-2-ylbenzenesulfonamide
SMILESC=CCC(C)NS(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C13H17NO3S/c1-4-5-10(2)14-18(16,17)13-8-6-12(7-9-13)11(3)15/h4,6-10,14H,1,5H2,2-3H3
InChIKeyMEOGMMZWPQUVGW-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.13
Rot. Bonds6

About 4-acetyl-N-pent-4-en-2-ylbenzenesulfonamide

4-acetyl-N-pent-4-en-2-ylbenzenesulfonamide (PubChem CID 113237505) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 4-acetyl-N-pent-4-en-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-pent-4-en-2-ylbenzenesulfonamide
PubChem CID113237505
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name4-acetyl-N-pent-4-en-2-ylbenzenesulfonamide
SMILESC=CCC(C)NS(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C13H17NO3S/c1-4-5-10(2)14-18(16,17)13-8-6-12(7-9-13)11(3)15/h4,6-10,14H,1,5H2,2-3H3
InChIKeyMEOGMMZWPQUVGW-UHFFFAOYSA-N
XLogP2.13
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(4-acetylphenyl)sulfonylamino]pent-4-enoate
CID 70264148
4-acetyl-N-(3-oxobutan-2-yl)benzenesulfonamide
CID 64994023
(2S)-2-[(4-acetylphenyl)sulfonylamino]propanoic acid
CID 2080939
4-acetyl-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 61395312
(2R)-2-[(4-acetylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 29050959
2-[(4-acetylphenyl)sulfonylamino]-3-methylpentanoic acid
CID 43081296
4-acetyl-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 43501748
4-acetyl-N-[(1S)-1-cyclopropylethyl]benzenesulfonamide
CID 8816988
4-acetyl-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide
CID 8816993
4-acetyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 2416651
diethyl 2-[(4-acetylphenyl)sulfonylamino]propanedioate
CID 5224259
methyl 4-(butan-2-ylsulfamoyl)benzoate
CID 60681168

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-pent-4-en-2-ylbenzenesulfonamide?
The IUPAC name of 4-acetyl-N-pent-4-en-2-ylbenzenesulfonamide (CID 113237505) is 4-acetyl-N-pent-4-en-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-pent-4-en-2-ylbenzenesulfonamide?
The canonical SMILES for 4-acetyl-N-pent-4-en-2-ylbenzenesulfonamide is C=CCC(C)NS(=O)(=O)c1ccc(C(C)=O)cc1.
What is the InChIKey of 4-acetyl-N-pent-4-en-2-ylbenzenesulfonamide?
The InChIKey is MEOGMMZWPQUVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-4-5-10(2)14-18(16,17)13-8-6-12(7-9-13)11(3)15/h4,6-10,14H,1,5H2,2-3H3.
What are the key properties of 4-acetyl-N-pent-4-en-2-ylbenzenesulfonamide?
4-acetyl-N-pent-4-en-2-ylbenzenesulfonamide has a molecular weight of 267.35 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-pent-4-en-2-ylbenzenesulfonamide is sourced from PubChem (CID 113237505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).