N-(5,5-dimethyl-3-oxocyclohexen-1-yl)-4-methylbenzenesulfonamide

C15H19NO3S — CID 767885

IUPACN-(5,5-dimethyl-3-oxocyclohexen-1-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2=CC(=O)CC(C)(C)C2)cc1
InChIInChI=1S/C15H19NO3S/c1-11-4-6-14(7-5-11)20(18,19)16-12-8-13(17)10-15(2,3)9-12/h4-8,16H,9-10H2,1-3H3
InChIKeyAWQGVFLTUWLWSM-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.55
Rot. Bonds3

About N-(5,5-dimethyl-3-oxocyclohexen-1-yl)-4-methylbenzenesulfonamide

N-(5,5-dimethyl-3-oxocyclohexen-1-yl)-4-methylbenzenesulfonamide (PubChem CID 767885) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-(5,5-dimethyl-3-oxocyclohexen-1-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5,5-dimethyl-3-oxocyclohexen-1-yl)-4-methylbenzenesulfonamide
PubChem CID767885
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC NameN-(5,5-dimethyl-3-oxocyclohexen-1-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2=CC(=O)CC(C)(C)C2)cc1
InChIInChI=1S/C15H19NO3S/c1-11-4-6-14(7-5-11)20(18,19)16-12-8-13(17)10-15(2,3)9-12/h4-8,16H,9-10H2,1-3H3
InChIKeyAWQGVFLTUWLWSM-UHFFFAOYSA-N
XLogP2.55
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(5,5-dimethyl-3-oxocyclohexen-1-yl)-4-methylbenzenesulfonamide 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

4-methyl-N-(5-methyl-3-oxocyclohexen-1-yl)benzenesulfonamide
CID 134386510
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-4-methylbenzenesulfonamide
CID 17228443
4-methyl-N-oxidobenzenesulfonamide
CID 141387140
4,4-dimethyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
CID 110749471
4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 1241617
4-methylbenzenesulfonohydrazide
CID 15303
bis(cyclopentane);bis(4-methylbenzenesulfonic acid);titanium(2+)
CID 23230882
N-[(4,4-dimethylcyclohexylidene)amino]-4-methylbenzenesulfonamide
CID 59365939
4-methyl-N-(2,4,5-trimethylphenyl)benzenesulfonamide
CID 59317382
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988

Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethyl-3-oxocyclohexen-1-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(5,5-dimethyl-3-oxocyclohexen-1-yl)-4-methylbenzenesulfonamide (CID 767885) is N-(5,5-dimethyl-3-oxocyclohexen-1-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(5,5-dimethyl-3-oxocyclohexen-1-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(5,5-dimethyl-3-oxocyclohexen-1-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2=CC(=O)CC(C)(C)C2)cc1.
What is the InChIKey of N-(5,5-dimethyl-3-oxocyclohexen-1-yl)-4-methylbenzenesulfonamide?
The InChIKey is AWQGVFLTUWLWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-11-4-6-14(7-5-11)20(18,19)16-12-8-13(17)10-15(2,3)9-12/h4-8,16H,9-10H2,1-3H3.
What are the key properties of N-(5,5-dimethyl-3-oxocyclohexen-1-yl)-4-methylbenzenesulfonamide?
N-(5,5-dimethyl-3-oxocyclohexen-1-yl)-4-methylbenzenesulfonamide has a molecular weight of 293.39 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dimethyl-3-oxocyclohexen-1-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 767885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).