5-fluoro-N-[4-[(3-fluorophenyl)sulfonylamino]cyclohexyl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide

C25H25F2N3O4S2 — CID 11226388

IUPAC5-fluoro-N-[4-[(3-fluorophenyl)sulfonylamino]cyclohexyl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
SMILESCSc1cccc(Oc2ncc(F)cc2C(=O)NC2CCC(NS(=O)(=O)c3cccc(F)c3)CC2)c1
InChIInChI=1S/C25H25F2N3O4S2/c1-35-21-6-3-5-20(14-21)34-25-23(13-17(27)15-28-25)24(31)29-18-8-10-19(11-9-18)30-36(32,33)22-7-2-4-16(26)12-22/h2-7,12-15,18-19,30H,8-11H2,1H3,(H,29,31)
InChIKeyOXBNDVWSGDPDFN-UHFFFAOYSA-N
MW533.62 g/mol
LogP4.89
Rot. Bonds8

About 5-fluoro-N-[4-[(3-fluorophenyl)sulfonylamino]cyclohexyl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide

5-fluoro-N-[4-[(3-fluorophenyl)sulfonylamino]cyclohexyl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide (PubChem CID 11226388) has the molecular formula C25H25F2N3O4S2 and a molecular weight of 533.62 g/mol. Its IUPAC name is 5-fluoro-N-[4-[(3-fluorophenyl)sulfonylamino]cyclohexyl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[4-[(3-fluorophenyl)sulfonylamino]cyclohexyl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
PubChem CID11226388
Molecular FormulaC25H25F2N3O4S2
Molecular Weight533.62 g/mol
Exact Mass533.13
IUPAC Name5-fluoro-N-[4-[(3-fluorophenyl)sulfonylamino]cyclohexyl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
SMILESCSc1cccc(Oc2ncc(F)cc2C(=O)NC2CCC(NS(=O)(=O)c3cccc(F)c3)CC2)c1
InChIInChI=1S/C25H25F2N3O4S2/c1-35-21-6-3-5-20(14-21)34-25-23(13-17(27)15-28-25)24(31)29-18-8-10-19(11-9-18)30-36(32,33)22-7-2-4-16(26)12-22/h2-7,12-15,18-19,30H,8-11H2,1H3,(H,29,31)
InChIKeyOXBNDVWSGDPDFN-UHFFFAOYSA-N
XLogP4.89
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.62
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[4-[(3-fluorophenyl)sulfonylamino]cyclohexyl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-N-[4-[(3-fluorophenyl)sulfonylamino]cyclohexyl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide (CID 11226388) is 5-fluoro-N-[4-[(3-fluorophenyl)sulfonylamino]cyclohexyl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-N-[4-[(3-fluorophenyl)sulfonylamino]cyclohexyl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-N-[4-[(3-fluorophenyl)sulfonylamino]cyclohexyl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide is CSc1cccc(Oc2ncc(F)cc2C(=O)NC2CCC(NS(=O)(=O)c3cccc(F)c3)CC2)c1.
What is the InChIKey of 5-fluoro-N-[4-[(3-fluorophenyl)sulfonylamino]cyclohexyl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide?
The InChIKey is OXBNDVWSGDPDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N3O4S2/c1-35-21-6-3-5-20(14-21)34-25-23(13-17(27)15-28-25)24(31)29-18-8-10-19(11-9-18)30-36(32,33)22-7-2-4-16(26)12-22/h2-7,12-15,18-19,30H,8-11H2,1H3,(H,29,31).
What are the key properties of 5-fluoro-N-[4-[(3-fluorophenyl)sulfonylamino]cyclohexyl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide?
5-fluoro-N-[4-[(3-fluorophenyl)sulfonylamino]cyclohexyl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide has a molecular weight of 533.62 g/mol, XLogP of 4.89, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[4-[(3-fluorophenyl)sulfonylamino]cyclohexyl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 11226388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).