4-acetyl-N-(cyclohex-3-en-1-ylmethyl)benzenesulfonamide

C15H19NO3S — CID 47439938

IUPAC4-acetyl-N-(cyclohex-3-en-1-ylmethyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCC2CC=CCC2)cc1
InChIInChI=1S/C15H19NO3S/c1-12(17)14-7-9-15(10-8-14)20(18,19)16-11-13-5-3-2-4-6-13/h2-3,7-10,13,16H,4-6,11H2,1H3
InChIKeyVPWJWMFBLLGJOB-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.52
Rot. Bonds5

About 4-acetyl-N-(cyclohex-3-en-1-ylmethyl)benzenesulfonamide

4-acetyl-N-(cyclohex-3-en-1-ylmethyl)benzenesulfonamide (PubChem CID 47439938) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is 4-acetyl-N-(cyclohex-3-en-1-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(cyclohex-3-en-1-ylmethyl)benzenesulfonamide
PubChem CID47439938
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name4-acetyl-N-(cyclohex-3-en-1-ylmethyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCC2CC=CCC2)cc1
InChIInChI=1S/C15H19NO3S/c1-12(17)14-7-9-15(10-8-14)20(18,19)16-11-13-5-3-2-4-6-13/h2-3,7-10,13,16H,4-6,11H2,1H3
InChIKeyVPWJWMFBLLGJOB-UHFFFAOYSA-N
XLogP2.52
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.52
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

4-acetyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 47320408
1-[4-(cyclohex-3-en-1-ylmethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 154745673
4-acetyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3401907
4-acetyl-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]benzenesulfonamide
CID 110640429
4-(cyclobutylmethylsulfamoyl)benzoic acid
CID 43275322
4-acetyl-N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 121108464
4-(cyclohexylmethylsulfamoyl)benzoic acid
CID 18524305
4-acetyl-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide
CID 47813772
4-acetyl-N-propylbenzenesulfonamide
CID 2064043
4-acetyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzenesulfonamide
CID 51114055
4-(cyclohex-3-en-1-ylmethylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 63328574
4-amino-2-(cyclohex-3-en-1-ylmethylsulfamoyl)benzoic acid
CID 102931174

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(cyclohex-3-en-1-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-(cyclohex-3-en-1-ylmethyl)benzenesulfonamide (CID 47439938) is 4-acetyl-N-(cyclohex-3-en-1-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(cyclohex-3-en-1-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(cyclohex-3-en-1-ylmethyl)benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NCC2CC=CCC2)cc1.
What is the InChIKey of 4-acetyl-N-(cyclohex-3-en-1-ylmethyl)benzenesulfonamide?
The InChIKey is VPWJWMFBLLGJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-12(17)14-7-9-15(10-8-14)20(18,19)16-11-13-5-3-2-4-6-13/h2-3,7-10,13,16H,4-6,11H2,1H3.
What are the key properties of 4-acetyl-N-(cyclohex-3-en-1-ylmethyl)benzenesulfonamide?
4-acetyl-N-(cyclohex-3-en-1-ylmethyl)benzenesulfonamide has a molecular weight of 293.39 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(cyclohex-3-en-1-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 47439938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).