3-(3-cyclohexyl-2-pyridinyl)-5-fluorobenzenesulfonamide

C17H19FN2O2S — CID 18754711

IUPAC3-(3-cyclohexyl-2-pyridinyl)-5-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)cc(-c2ncccc2C2CCCCC2)c1
InChIInChI=1S/C17H19FN2O2S/c18-14-9-13(10-15(11-14)23(19,21)22)17-16(7-4-8-20-17)12-5-2-1-3-6-12/h4,7-12H,1-3,5-6H2,(H2,19,21,22)
InChIKeyPNECAYMFDNLCIV-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.58
Rot. Bonds3

About 3-(3-cyclohexyl-2-pyridinyl)-5-fluorobenzenesulfonamide

3-(3-cyclohexyl-2-pyridinyl)-5-fluorobenzenesulfonamide (PubChem CID 18754711) has the molecular formula C17H19FN2O2S and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-(3-cyclohexyl-2-pyridinyl)-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-(3-cyclohexyl-2-pyridinyl)-5-fluorobenzenesulfonamide
PubChem CID18754711
Molecular FormulaC17H19FN2O2S
Molecular Weight334.42 g/mol
Exact Mass334.12
IUPAC Name3-(3-cyclohexyl-2-pyridinyl)-5-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)cc(-c2ncccc2C2CCCCC2)c1
InChIInChI=1S/C17H19FN2O2S/c18-14-9-13(10-15(11-14)23(19,21)22)17-16(7-4-8-20-17)12-5-2-1-3-6-12/h4,7-12H,1-3,5-6H2,(H2,19,21,22)
InChIKeyPNECAYMFDNLCIV-UHFFFAOYSA-N
XLogP3.58
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclohexyl-2-pyridinyl)-5-fluorobenzenesulfonamide?
The IUPAC name of 3-(3-cyclohexyl-2-pyridinyl)-5-fluorobenzenesulfonamide (CID 18754711) is 3-(3-cyclohexyl-2-pyridinyl)-5-fluorobenzenesulfonamide.
What is the SMILES notation for 3-(3-cyclohexyl-2-pyridinyl)-5-fluorobenzenesulfonamide?
The canonical SMILES for 3-(3-cyclohexyl-2-pyridinyl)-5-fluorobenzenesulfonamide is NS(=O)(=O)c1cc(F)cc(-c2ncccc2C2CCCCC2)c1.
What is the InChIKey of 3-(3-cyclohexyl-2-pyridinyl)-5-fluorobenzenesulfonamide?
The InChIKey is PNECAYMFDNLCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2S/c18-14-9-13(10-15(11-14)23(19,21)22)17-16(7-4-8-20-17)12-5-2-1-3-6-12/h4,7-12H,1-3,5-6H2,(H2,19,21,22).
What are the key properties of 3-(3-cyclohexyl-2-pyridinyl)-5-fluorobenzenesulfonamide?
3-(3-cyclohexyl-2-pyridinyl)-5-fluorobenzenesulfonamide has a molecular weight of 334.42 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclohexyl-2-pyridinyl)-5-fluorobenzenesulfonamide is sourced from PubChem (CID 18754711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).