3-cyano-N-(5-fluoro-2-pyridinyl)-4-[2-(oxan-2-yl)phenoxy]benzenesulfonamide

C23H20FN3O4S — CID 71718751

IUPAC3-cyano-N-(5-fluoro-2-pyridinyl)-4-[2-(oxan-2-yl)phenoxy]benzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2ccc(F)cn2)ccc1Oc1ccccc1C1CCCCO1
InChIInChI=1S/C23H20FN3O4S/c24-17-8-11-23(26-15-17)27-32(28,29)18-9-10-20(16(13-18)14-25)31-22-7-2-1-5-19(22)21-6-3-4-12-30-21/h1-2,5,7-11,13,15,21H,3-4,6,12H2,(H,26,27)
InChIKeyCJRJOAVYYWQHJI-UHFFFAOYSA-N
MW453.50 g/mol
LogP4.93
Rot. Bonds6

About 3-cyano-N-(5-fluoro-2-pyridinyl)-4-[2-(oxan-2-yl)phenoxy]benzenesulfonamide

3-cyano-N-(5-fluoro-2-pyridinyl)-4-[2-(oxan-2-yl)phenoxy]benzenesulfonamide (PubChem CID 71718751) has the molecular formula C23H20FN3O4S and a molecular weight of 453.50 g/mol. Its IUPAC name is 3-cyano-N-(5-fluoro-2-pyridinyl)-4-[2-(oxan-2-yl)phenoxy]benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-(5-fluoro-2-pyridinyl)-4-[2-(oxan-2-yl)phenoxy]benzenesulfonamide
PubChem CID71718751
Molecular FormulaC23H20FN3O4S
Molecular Weight453.50 g/mol
Exact Mass453.12
IUPAC Name3-cyano-N-(5-fluoro-2-pyridinyl)-4-[2-(oxan-2-yl)phenoxy]benzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2ccc(F)cn2)ccc1Oc1ccccc1C1CCCCO1
InChIInChI=1S/C23H20FN3O4S/c24-17-8-11-23(26-15-17)27-32(28,29)18-9-10-20(16(13-18)14-25)31-22-7-2-1-5-19(22)21-6-3-4-12-30-21/h1-2,5,7-11,13,15,21H,3-4,6,12H2,(H,26,27)
InChIKeyCJRJOAVYYWQHJI-UHFFFAOYSA-N
XLogP4.93
TPSA101.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-cyano-N-(5-fluoro-2-pyridinyl)-4-[2-(oxan-2-yl)phenoxy]benzenesulfonamide with MolForge

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Related Compounds

URAT1 inhibitor 7
CID 86294663
N-(4-ethyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 2812532
4-ethoxy-N-(3-methylpyridin-2-yl)naphthalene-1-sulfonamide
CID 1073731
2,5-difluoro-N-(5-fluoropyridin-2-yl)-4-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 71717433
3-cyano-N-(4-cyano-2-pyridinyl)-4-(2-phenylphenoxy)benzenesulfonamide
CID 71718191
URAT1 inhibitor 8
CID 86271138
N-[3-(benzyloxy)pyridin-2-yl]benzenesulfonamide
CID 4338178
4-ethoxy-N-(4-methyl-2-pyridinyl)-1-naphthalenesulfonamide
CID 741447
N-(4-methyl-2-pyridinyl)-4-phenoxybenzenesulfonamide
CID 801380
N-[1-[5-[[ethyl(methyl)amino]methyl]-2-pyridinyl]piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 91800596
(4S)-6-fluoro-4-[(2R,4S)-2-(4-fluorophenyl)-4-(trifluoromethyl)piperidin-1-yl]-N-(5-fluoro-2-pyridinyl)-3,4-dihydro-2H-chromene-7-sulfonamide
CID 155524941
4-[(3S,4S)-3-(3,4-difluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxy-3,5-difluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 164612949

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(5-fluoro-2-pyridinyl)-4-[2-(oxan-2-yl)phenoxy]benzenesulfonamide?
The IUPAC name of 3-cyano-N-(5-fluoro-2-pyridinyl)-4-[2-(oxan-2-yl)phenoxy]benzenesulfonamide (CID 71718751) is 3-cyano-N-(5-fluoro-2-pyridinyl)-4-[2-(oxan-2-yl)phenoxy]benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-(5-fluoro-2-pyridinyl)-4-[2-(oxan-2-yl)phenoxy]benzenesulfonamide?
The canonical SMILES for 3-cyano-N-(5-fluoro-2-pyridinyl)-4-[2-(oxan-2-yl)phenoxy]benzenesulfonamide is N#Cc1cc(S(=O)(=O)Nc2ccc(F)cn2)ccc1Oc1ccccc1C1CCCCO1.
What is the InChIKey of 3-cyano-N-(5-fluoro-2-pyridinyl)-4-[2-(oxan-2-yl)phenoxy]benzenesulfonamide?
The InChIKey is CJRJOAVYYWQHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O4S/c24-17-8-11-23(26-15-17)27-32(28,29)18-9-10-20(16(13-18)14-25)31-22-7-2-1-5-19(22)21-6-3-4-12-30-21/h1-2,5,7-11,13,15,21H,3-4,6,12H2,(H,26,27).
What are the key properties of 3-cyano-N-(5-fluoro-2-pyridinyl)-4-[2-(oxan-2-yl)phenoxy]benzenesulfonamide?
3-cyano-N-(5-fluoro-2-pyridinyl)-4-[2-(oxan-2-yl)phenoxy]benzenesulfonamide has a molecular weight of 453.50 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(5-fluoro-2-pyridinyl)-4-[2-(oxan-2-yl)phenoxy]benzenesulfonamide is sourced from PubChem (CID 71718751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).