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

C21H15F2N3O3S — CID 71719955

IUPAC3-cyano-4-(2-cyclopropyl-4-fluorophenoxy)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2ccc(F)cn2)ccc1Oc1ccc(F)cc1C1CC1
InChIInChI=1S/C21H15F2N3O3S/c22-15-3-6-20(18(10-15)13-1-2-13)29-19-7-5-17(9-14(19)11-24)30(27,28)26-21-8-4-16(23)12-25-21/h3-10,12-13H,1-2H2,(H,25,26)
InChIKeyAMALAYFPHNXJSZ-UHFFFAOYSA-N
MW427.43 g/mol
LogP4.70
Rot. Bonds6

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

3-cyano-4-(2-cyclopropyl-4-fluorophenoxy)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide (PubChem CID 71719955) has the molecular formula C21H15F2N3O3S and a molecular weight of 427.43 g/mol. Its IUPAC name is 3-cyano-4-(2-cyclopropyl-4-fluorophenoxy)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-4-(2-cyclopropyl-4-fluorophenoxy)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
PubChem CID71719955
Molecular FormulaC21H15F2N3O3S
Molecular Weight427.43 g/mol
Exact Mass427.08
IUPAC Name3-cyano-4-(2-cyclopropyl-4-fluorophenoxy)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2ccc(F)cn2)ccc1Oc1ccc(F)cc1C1CC1
InChIInChI=1S/C21H15F2N3O3S/c22-15-3-6-20(18(10-15)13-1-2-13)29-19-7-5-17(9-14(19)11-24)30(27,28)26-21-8-4-16(23)12-25-21/h3-10,12-13H,1-2H2,(H,25,26)
InChIKeyAMALAYFPHNXJSZ-UHFFFAOYSA-N
XLogP4.70
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.43
LogP ≤ 54.70
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-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
4-[2-(2-amino-4-pyridinyl)-4-fluorophenoxy]-N-(5-chloro-1,3-thiazol-2-yl)-3-cyanobenzenesulfonamide
CID 71716243
4-(4-chloro-2-piperidin-4-ylphenoxy)-2,5-difluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 71716814
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-[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
4-ethoxy-N-(4-methyl-2-pyridinyl)-1-naphthalenesulfonamide
CID 741447

Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-(2-cyclopropyl-4-fluorophenoxy)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 3-cyano-4-(2-cyclopropyl-4-fluorophenoxy)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide (CID 71719955) is 3-cyano-4-(2-cyclopropyl-4-fluorophenoxy)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-4-(2-cyclopropyl-4-fluorophenoxy)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 3-cyano-4-(2-cyclopropyl-4-fluorophenoxy)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide is N#Cc1cc(S(=O)(=O)Nc2ccc(F)cn2)ccc1Oc1ccc(F)cc1C1CC1.
What is the InChIKey of 3-cyano-4-(2-cyclopropyl-4-fluorophenoxy)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide?
The InChIKey is AMALAYFPHNXJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3O3S/c22-15-3-6-20(18(10-15)13-1-2-13)29-19-7-5-17(9-14(19)11-24)30(27,28)26-21-8-4-16(23)12-25-21/h3-10,12-13H,1-2H2,(H,25,26).
What are the key properties of 3-cyano-4-(2-cyclopropyl-4-fluorophenoxy)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide?
3-cyano-4-(2-cyclopropyl-4-fluorophenoxy)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide has a molecular weight of 427.43 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4-(2-cyclopropyl-4-fluorophenoxy)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 71719955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).