3-cyano-4-(2-fluorophenoxy)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide

C18H11F2N3O3S — CID 118009901

IUPAC3-cyano-4-(2-fluorophenoxy)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2ccc(F)cn2)ccc1Oc1ccccc1F
InChIInChI=1S/C18H11F2N3O3S/c19-13-5-8-18(22-11-13)23-27(24,25)14-6-7-16(12(9-14)10-21)26-17-4-2-1-3-15(17)20/h1-9,11H,(H,22,23)
InChIKeyDGZKSZQGFQVRKK-UHFFFAOYSA-N
MW387.37 g/mol
LogP3.82
Rot. Bonds5

About 3-cyano-4-(2-fluorophenoxy)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide

3-cyano-4-(2-fluorophenoxy)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide (PubChem CID 118009901) has the molecular formula C18H11F2N3O3S and a molecular weight of 387.37 g/mol. Its IUPAC name is 3-cyano-4-(2-fluorophenoxy)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-4-(2-fluorophenoxy)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
PubChem CID118009901
Molecular FormulaC18H11F2N3O3S
Molecular Weight387.37 g/mol
Exact Mass387.05
IUPAC Name3-cyano-4-(2-fluorophenoxy)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2ccc(F)cn2)ccc1Oc1ccccc1F
InChIInChI=1S/C18H11F2N3O3S/c19-13-5-8-18(22-11-13)23-27(24,25)14-6-7-16(12(9-14)10-21)26-17-4-2-1-3-15(17)20/h1-9,11H,(H,22,23)
InChIKeyDGZKSZQGFQVRKK-UHFFFAOYSA-N
XLogP3.82
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.37
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-Methoxy-naphthalene-1-sulfonic acid (3-methyl-pyridin-2-yl)-amide
CID 2992209
4-ethoxy-N-(3-methylpyridin-2-yl)naphthalene-1-sulfonamide
CID 1073731
4-[2-(6-aminopyridin-3-yl)-4-fluorophenoxy]-N-(5-chloro-1,3-thiazol-2-yl)-3-cyanobenzenesulfonamide
CID 46700763
2,5-difluoro-N-(5-fluoropyridin-2-yl)-4-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 71717433
3-cyano-4-[2-pyridin-3-yl-4-(trifluoromethyl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 71717516
3-cyano-4-[3-[2-ethyl-5-(trifluoromethyl)pyrazol-3-yl]phenoxy]-N-(5-fluoropyridin-2-yl)benzenesulfonamide
CID 71717992
3-cyano-4-[4-fluoro-2-(6-fluoro-3-pyridinyl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71718029
4-[2-(2-amino-4-pyridinyl)-4-fluorophenoxy]-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 71718112
3-cyano-N-(4-cyano-2-pyridinyl)-4-(2-phenylphenoxy)benzenesulfonamide
CID 71718191
URAT1 inhibitor 8
CID 86271138

Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-(2-fluorophenoxy)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 3-cyano-4-(2-fluorophenoxy)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide (CID 118009901) is 3-cyano-4-(2-fluorophenoxy)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-4-(2-fluorophenoxy)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 3-cyano-4-(2-fluorophenoxy)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide is N#Cc1cc(S(=O)(=O)Nc2ccc(F)cn2)ccc1Oc1ccccc1F.
What is the InChIKey of 3-cyano-4-(2-fluorophenoxy)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide?
The InChIKey is DGZKSZQGFQVRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F2N3O3S/c19-13-5-8-18(22-11-13)23-27(24,25)14-6-7-16(12(9-14)10-21)26-17-4-2-1-3-15(17)20/h1-9,11H,(H,22,23).
What are the key properties of 3-cyano-4-(2-fluorophenoxy)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide?
3-cyano-4-(2-fluorophenoxy)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide has a molecular weight of 387.37 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4-(2-fluorophenoxy)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 118009901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).