4-methyl-N-(5-methyl-3-oxocyclohexen-1-yl)benzenesulfonamide

C14H17NO3S — CID 134386510

IUPAC4-methyl-N-(5-methyl-3-oxocyclohexen-1-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2=CC(=O)CC(C)C2)cc1
InChIInChI=1S/C14H17NO3S/c1-10-3-5-14(6-4-10)19(17,18)15-12-7-11(2)8-13(16)9-12/h3-6,9,11,15H,7-8H2,1-2H3
InChIKeyVXKQYQCGWYQKEJ-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.16
Rot. Bonds3

About 4-methyl-N-(5-methyl-3-oxocyclohexen-1-yl)benzenesulfonamide

4-methyl-N-(5-methyl-3-oxocyclohexen-1-yl)benzenesulfonamide (PubChem CID 134386510) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is 4-methyl-N-(5-methyl-3-oxocyclohexen-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(5-methyl-3-oxocyclohexen-1-yl)benzenesulfonamide
PubChem CID134386510
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Name4-methyl-N-(5-methyl-3-oxocyclohexen-1-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2=CC(=O)CC(C)C2)cc1
InChIInChI=1S/C14H17NO3S/c1-10-3-5-14(6-4-10)19(17,18)15-12-7-11(2)8-13(16)9-12/h3-6,9,11,15H,7-8H2,1-2H3
InChIKeyVXKQYQCGWYQKEJ-UHFFFAOYSA-N
XLogP2.16
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5,5-dimethyl-3-oxocyclohexen-1-yl)-4-methylbenzenesulfonamide
CID 767885
4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzenesulfonamide
CID 18197748
4-methyl-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]benzenesulfonamide
CID 113024884
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
N-(4-methylphenyl)sulfonyl-2,6-dioxocyclohexane-1-carboxamide
CID 86016968
4-methyl-N-(1-methylpiperidin-2-yl)benzenesulfonamide
CID 57066316
4-methyl-N-(2,3,4,5-tetrahydropyridin-6-yl)benzenesulfonamide
CID 132523995
4-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 11097522
3-[(4-methylphenyl)sulfonylamino]-4-(4-methylpiperidin-1-yl)benzoic acid
CID 46292342
4-methyl-N-oxidobenzenesulfonamide
CID 141387140
2-methyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
CID 3434753
N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-4-methylbenzenesulfonamide
CID 110637578

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(5-methyl-3-oxocyclohexen-1-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(5-methyl-3-oxocyclohexen-1-yl)benzenesulfonamide (CID 134386510) is 4-methyl-N-(5-methyl-3-oxocyclohexen-1-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(5-methyl-3-oxocyclohexen-1-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(5-methyl-3-oxocyclohexen-1-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NC2=CC(=O)CC(C)C2)cc1.
What is the InChIKey of 4-methyl-N-(5-methyl-3-oxocyclohexen-1-yl)benzenesulfonamide?
The InChIKey is VXKQYQCGWYQKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-10-3-5-14(6-4-10)19(17,18)15-12-7-11(2)8-13(16)9-12/h3-6,9,11,15H,7-8H2,1-2H3.
What are the key properties of 4-methyl-N-(5-methyl-3-oxocyclohexen-1-yl)benzenesulfonamide?
4-methyl-N-(5-methyl-3-oxocyclohexen-1-yl)benzenesulfonamide has a molecular weight of 279.36 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(5-methyl-3-oxocyclohexen-1-yl)benzenesulfonamide is sourced from PubChem (CID 134386510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).