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

C14H14ClF3N2O2S — CID 55704925

IUPAC3-chloro-4-cyano-N-[3-(trifluoromethyl)cyclohexyl]benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC2CCCC(C(F)(F)F)C2)cc1Cl
InChIInChI=1S/C14H14ClF3N2O2S/c15-13-7-12(5-4-9(13)8-19)23(21,22)20-11-3-1-2-10(6-11)14(16,17)18/h4-5,7,10-11,20H,1-3,6H2
InChIKeyUHNXRRUPKUBHNW-UHFFFAOYSA-N
MW366.79 g/mol
LogP3.61
Rot. Bonds3

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

3-chloro-4-cyano-N-[3-(trifluoromethyl)cyclohexyl]benzenesulfonamide (PubChem CID 55704925) has the molecular formula C14H14ClF3N2O2S and a molecular weight of 366.79 g/mol. Its IUPAC name is 3-chloro-4-cyano-N-[3-(trifluoromethyl)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-cyano-N-[3-(trifluoromethyl)cyclohexyl]benzenesulfonamide
PubChem CID55704925
Molecular FormulaC14H14ClF3N2O2S
Molecular Weight366.79 g/mol
Exact Mass366.04
IUPAC Name3-chloro-4-cyano-N-[3-(trifluoromethyl)cyclohexyl]benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC2CCCC(C(F)(F)F)C2)cc1Cl
InChIInChI=1S/C14H14ClF3N2O2S/c15-13-7-12(5-4-9(13)8-19)23(21,22)20-11-3-1-2-10(6-11)14(16,17)18/h4-5,7,10-11,20H,1-3,6H2
InChIKeyUHNXRRUPKUBHNW-UHFFFAOYSA-N
XLogP3.61
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.79
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-cyano-N-[3-(trifluoromethyl)cyclohexyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-cyano-N-[3-(trifluoromethyl)cyclohexyl]benzenesulfonamide (CID 55704925) is 3-chloro-4-cyano-N-[3-(trifluoromethyl)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-cyano-N-[3-(trifluoromethyl)cyclohexyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-cyano-N-[3-(trifluoromethyl)cyclohexyl]benzenesulfonamide is N#Cc1ccc(S(=O)(=O)NC2CCCC(C(F)(F)F)C2)cc1Cl.
What is the InChIKey of 3-chloro-4-cyano-N-[3-(trifluoromethyl)cyclohexyl]benzenesulfonamide?
The InChIKey is UHNXRRUPKUBHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF3N2O2S/c15-13-7-12(5-4-9(13)8-19)23(21,22)20-11-3-1-2-10(6-11)14(16,17)18/h4-5,7,10-11,20H,1-3,6H2.
What are the key properties of 3-chloro-4-cyano-N-[3-(trifluoromethyl)cyclohexyl]benzenesulfonamide?
3-chloro-4-cyano-N-[3-(trifluoromethyl)cyclohexyl]benzenesulfonamide has a molecular weight of 366.79 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-cyano-N-[3-(trifluoromethyl)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 55704925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).