3-cyano-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide

C14H15F3N2O2S — CID 24651396

IUPAC3-cyano-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)NC2CCC(C(F)(F)F)CC2)c1
InChIInChI=1S/C14H15F3N2O2S/c15-14(16,17)11-4-6-12(7-5-11)19-22(20,21)13-3-1-2-10(8-13)9-18/h1-3,8,11-12,19H,4-7H2
InChIKeyMSJXKVPXVHDQBT-UHFFFAOYSA-N
MW332.35 g/mol
LogP2.96
Rot. Bonds3

About 3-cyano-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide

3-cyano-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide (PubChem CID 24651396) has the molecular formula C14H15F3N2O2S and a molecular weight of 332.35 g/mol. Its IUPAC name is 3-cyano-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide
PubChem CID24651396
Molecular FormulaC14H15F3N2O2S
Molecular Weight332.35 g/mol
Exact Mass332.08
IUPAC Name3-cyano-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)NC2CCC(C(F)(F)F)CC2)c1
InChIInChI=1S/C14H15F3N2O2S/c15-14(16,17)11-4-6-12(7-5-11)19-22(20,21)13-3-1-2-10(8-13)9-18/h1-3,8,11-12,19H,4-7H2
InChIKeyMSJXKVPXVHDQBT-UHFFFAOYSA-N
XLogP2.96
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-cyclopropyl-1-N-[4-(trifluoromethyl)cyclohexyl]benzene-1,3-disulfonamide
CID 78842483
3-cyano-N-(4-methylcycloheptyl)benzenesulfonamide
CID 102794968
3-cyano-N-(oxolan-3-yl)benzenesulfonamide
CID 80714272
cis-(1R,3S)-3-[(3-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 106321518
3-cyano-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzenesulfonamide
CID 94764478
3-cyano-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 104922365
3-cyano-N-(2-cyanocyclopentyl)benzenesulfonamide
CID 62961811
3-cyano-N-(cycloheptylmethyl)benzenesulfonamide
CID 3671266
3-cyano-N-(2,3-dimethylcyclohexyl)benzenesulfonamide
CID 43176217
3-cyano-N-(2-cyclopropyl-2-oxoethyl)benzenesulfonamide
CID 75399111
3-tert-butyl-N-cyclopropylbenzenesulfonamide
CID 59019434
N-[1-(3-cyanobenzoyl)piperidin-4-yl]benzenesulfonamide
CID 33161452

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide?
The IUPAC name of 3-cyano-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide (CID 24651396) is 3-cyano-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide?
The canonical SMILES for 3-cyano-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide is N#Cc1cccc(S(=O)(=O)NC2CCC(C(F)(F)F)CC2)c1.
What is the InChIKey of 3-cyano-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide?
The InChIKey is MSJXKVPXVHDQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O2S/c15-14(16,17)11-4-6-12(7-5-11)19-22(20,21)13-3-1-2-10(8-13)9-18/h1-3,8,11-12,19H,4-7H2.
What are the key properties of 3-cyano-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide?
3-cyano-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide has a molecular weight of 332.35 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 24651396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).