3-chloro-N-cyclohexyl-2-fluorobenzenesulfonamide

C12H15ClFNO2S — CID 39617204

IUPAC3-chloro-N-cyclohexyl-2-fluorobenzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1)c1cccc(Cl)c1F
InChIInChI=1S/C12H15ClFNO2S/c13-10-7-4-8-11(12(10)14)18(16,17)15-9-5-2-1-3-6-9/h4,7-9,15H,1-3,5-6H2
InChIKeyHERQPMVEFYBQIN-UHFFFAOYSA-N
MW291.77 g/mol
LogP3.09
Rot. Bonds3

About 3-chloro-N-cyclohexyl-2-fluorobenzenesulfonamide

3-chloro-N-cyclohexyl-2-fluorobenzenesulfonamide (PubChem CID 39617204) has the molecular formula C12H15ClFNO2S and a molecular weight of 291.77 g/mol. Its IUPAC name is 3-chloro-N-cyclohexyl-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-cyclohexyl-2-fluorobenzenesulfonamide
PubChem CID39617204
Molecular FormulaC12H15ClFNO2S
Molecular Weight291.77 g/mol
Exact Mass291.05
IUPAC Name3-chloro-N-cyclohexyl-2-fluorobenzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1)c1cccc(Cl)c1F
InChIInChI=1S/C12H15ClFNO2S/c13-10-7-4-8-11(12(10)14)18(16,17)15-9-5-2-1-3-6-9/h4,7-9,15H,1-3,5-6H2
InChIKeyHERQPMVEFYBQIN-UHFFFAOYSA-N
XLogP3.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.77
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclohexyl-2-fluorobenzenesulfonamide?
The IUPAC name of 3-chloro-N-cyclohexyl-2-fluorobenzenesulfonamide (CID 39617204) is 3-chloro-N-cyclohexyl-2-fluorobenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-cyclohexyl-2-fluorobenzenesulfonamide?
The canonical SMILES for 3-chloro-N-cyclohexyl-2-fluorobenzenesulfonamide is O=S(=O)(NC1CCCCC1)c1cccc(Cl)c1F.
What is the InChIKey of 3-chloro-N-cyclohexyl-2-fluorobenzenesulfonamide?
The InChIKey is HERQPMVEFYBQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO2S/c13-10-7-4-8-11(12(10)14)18(16,17)15-9-5-2-1-3-6-9/h4,7-9,15H,1-3,5-6H2.
What are the key properties of 3-chloro-N-cyclohexyl-2-fluorobenzenesulfonamide?
3-chloro-N-cyclohexyl-2-fluorobenzenesulfonamide has a molecular weight of 291.77 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclohexyl-2-fluorobenzenesulfonamide is sourced from PubChem (CID 39617204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).