N-[5-cyano-6-(cyclohexylmethoxy)-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide

C25H24FN3O3S — CID 23217903

IUPACN-[5-cyano-6-(cyclohexylmethoxy)-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide
SMILESN#Cc1cc(NS(=O)(=O)c2ccccc2)c(-c2ccc(F)cc2)nc1OCC1CCCCC1
InChIInChI=1S/C25H24FN3O3S/c26-21-13-11-19(12-14-21)24-23(29-33(30,31)22-9-5-2-6-10-22)15-20(16-27)25(28-24)32-17-18-7-3-1-4-8-18/h2,5-6,9-15,18,29H,1,3-4,7-8,17H2
InChIKeyPFTLEQAONJQNCZ-UHFFFAOYSA-N
MW465.55 g/mol
LogP5.52
Rot. Bonds7

About N-[5-cyano-6-(cyclohexylmethoxy)-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide

N-[5-cyano-6-(cyclohexylmethoxy)-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide (PubChem CID 23217903) has the molecular formula C25H24FN3O3S and a molecular weight of 465.55 g/mol. Its IUPAC name is N-[5-cyano-6-(cyclohexylmethoxy)-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-cyano-6-(cyclohexylmethoxy)-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide
PubChem CID23217903
Molecular FormulaC25H24FN3O3S
Molecular Weight465.55 g/mol
Exact Mass465.15
IUPAC NameN-[5-cyano-6-(cyclohexylmethoxy)-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide
SMILESN#Cc1cc(NS(=O)(=O)c2ccccc2)c(-c2ccc(F)cc2)nc1OCC1CCCCC1
InChIInChI=1S/C25H24FN3O3S/c26-21-13-11-19(12-14-21)24-23(29-33(30,31)22-9-5-2-6-10-22)15-20(16-27)25(28-24)32-17-18-7-3-1-4-8-18/h2,5-6,9-15,18,29H,1,3-4,7-8,17H2
InChIKeyPFTLEQAONJQNCZ-UHFFFAOYSA-N
XLogP5.52
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.55
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-6-(cyclohexylmethoxy)-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[5-cyano-6-(cyclohexylmethoxy)-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide (CID 23217903) is N-[5-cyano-6-(cyclohexylmethoxy)-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[5-cyano-6-(cyclohexylmethoxy)-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[5-cyano-6-(cyclohexylmethoxy)-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide is N#Cc1cc(NS(=O)(=O)c2ccccc2)c(-c2ccc(F)cc2)nc1OCC1CCCCC1.
What is the InChIKey of N-[5-cyano-6-(cyclohexylmethoxy)-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is PFTLEQAONJQNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O3S/c26-21-13-11-19(12-14-21)24-23(29-33(30,31)22-9-5-2-6-10-22)15-20(16-27)25(28-24)32-17-18-7-3-1-4-8-18/h2,5-6,9-15,18,29H,1,3-4,7-8,17H2.
What are the key properties of N-[5-cyano-6-(cyclohexylmethoxy)-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide?
N-[5-cyano-6-(cyclohexylmethoxy)-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 465.55 g/mol, XLogP of 5.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-6-(cyclohexylmethoxy)-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 23217903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).