4-cyano-2-methyl-N-(4-oxocyclohexyl)benzenesulfonamide

C14H16N2O3S — CID 106998698

IUPAC4-cyano-2-methyl-N-(4-oxocyclohexyl)benzenesulfonamide
SMILESCc1cc(C#N)ccc1S(=O)(=O)NC1CCC(=O)CC1
InChIInChI=1S/C14H16N2O3S/c1-10-8-11(9-15)2-7-14(10)20(18,19)16-12-3-5-13(17)6-4-12/h2,7-8,12,16H,3-6H2,1H3
InChIKeyLZMDQVYHTHJVCC-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.66
Rot. Bonds3

About 4-cyano-2-methyl-N-(4-oxocyclohexyl)benzenesulfonamide

4-cyano-2-methyl-N-(4-oxocyclohexyl)benzenesulfonamide (PubChem CID 106998698) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-cyano-2-methyl-N-(4-oxocyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-2-methyl-N-(4-oxocyclohexyl)benzenesulfonamide
PubChem CID106998698
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name4-cyano-2-methyl-N-(4-oxocyclohexyl)benzenesulfonamide
SMILESCc1cc(C#N)ccc1S(=O)(=O)NC1CCC(=O)CC1
InChIInChI=1S/C14H16N2O3S/c1-10-8-11(9-15)2-7-14(10)20(18,19)16-12-3-5-13(17)6-4-12/h2,7-8,12,16H,3-6H2,1H3
InChIKeyLZMDQVYHTHJVCC-UHFFFAOYSA-N
XLogP1.66
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminocyclobutyl)-4-cyano-2-methylbenzenesulfonamide
CID 106998868
4-cyano-2-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120724642
4-cyano-N-(2-methoxycyclopentyl)-2-methylbenzenesulfonamide
CID 103757199
4-[(4-cyano-2-methylphenyl)sulfonylamino]oxolane-3-carboxylic acid
CID 106996515
5-cyano-2-methyl-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685043
cis-(1R,3S)-3-[(5-cyano-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 106321633
2-amino-4-cyano-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 64900205
4-cyano-2-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 103828937
4-cyano-2-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 103990968
N-cyclododecyl-2,4-dimethylbenzenesulfonamide
CID 19681945
4-cyano-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylbenzenesulfonamide
CID 104952984
4-cyano-N-(2-iodoethyl)-2-methylbenzenesulfonamide
CID 106442162

Frequently Asked Questions

What is the IUPAC name of 4-cyano-2-methyl-N-(4-oxocyclohexyl)benzenesulfonamide?
The IUPAC name of 4-cyano-2-methyl-N-(4-oxocyclohexyl)benzenesulfonamide (CID 106998698) is 4-cyano-2-methyl-N-(4-oxocyclohexyl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-2-methyl-N-(4-oxocyclohexyl)benzenesulfonamide?
The canonical SMILES for 4-cyano-2-methyl-N-(4-oxocyclohexyl)benzenesulfonamide is Cc1cc(C#N)ccc1S(=O)(=O)NC1CCC(=O)CC1.
What is the InChIKey of 4-cyano-2-methyl-N-(4-oxocyclohexyl)benzenesulfonamide?
The InChIKey is LZMDQVYHTHJVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-10-8-11(9-15)2-7-14(10)20(18,19)16-12-3-5-13(17)6-4-12/h2,7-8,12,16H,3-6H2,1H3.
What are the key properties of 4-cyano-2-methyl-N-(4-oxocyclohexyl)benzenesulfonamide?
4-cyano-2-methyl-N-(4-oxocyclohexyl)benzenesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-2-methyl-N-(4-oxocyclohexyl)benzenesulfonamide is sourced from PubChem (CID 106998698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).