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

C24H16FN3O3S — CID 71718141

IUPAC3-cyano-N-(5-fluoro-2-pyridinyl)-4-(2-phenylphenoxy)benzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2ccc(F)cn2)ccc1Oc1ccccc1-c1ccccc1
InChIInChI=1S/C24H16FN3O3S/c25-19-10-13-24(27-16-19)28-32(29,30)20-11-12-22(18(14-20)15-26)31-23-9-5-4-8-21(23)17-6-2-1-3-7-17/h1-14,16H,(H,27,28)
InChIKeyTWMIQDQQFBBJBN-UHFFFAOYSA-N
MW445.48 g/mol
LogP5.35
Rot. Bonds6

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

3-cyano-N-(5-fluoro-2-pyridinyl)-4-(2-phenylphenoxy)benzenesulfonamide (PubChem CID 71718141) has the molecular formula C24H16FN3O3S and a molecular weight of 445.48 g/mol. Its IUPAC name is 3-cyano-N-(5-fluoro-2-pyridinyl)-4-(2-phenylphenoxy)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-(5-fluoro-2-pyridinyl)-4-(2-phenylphenoxy)benzenesulfonamide
PubChem CID71718141
Molecular FormulaC24H16FN3O3S
Molecular Weight445.48 g/mol
Exact Mass445.09
IUPAC Name3-cyano-N-(5-fluoro-2-pyridinyl)-4-(2-phenylphenoxy)benzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2ccc(F)cn2)ccc1Oc1ccccc1-c1ccccc1
InChIInChI=1S/C24H16FN3O3S/c25-19-10-13-24(27-16-19)28-32(29,30)20-11-12-22(18(14-20)15-26)31-23-9-5-4-8-21(23)17-6-2-1-3-7-17/h1-14,16H,(H,27,28)
InChIKeyTWMIQDQQFBBJBN-UHFFFAOYSA-N
XLogP5.35
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.48
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(benzyloxy)pyridin-2-yl]benzenesulfonamide
CID 4338178
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
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-[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

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(5-fluoro-2-pyridinyl)-4-(2-phenylphenoxy)benzenesulfonamide?
The IUPAC name of 3-cyano-N-(5-fluoro-2-pyridinyl)-4-(2-phenylphenoxy)benzenesulfonamide (CID 71718141) is 3-cyano-N-(5-fluoro-2-pyridinyl)-4-(2-phenylphenoxy)benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-(5-fluoro-2-pyridinyl)-4-(2-phenylphenoxy)benzenesulfonamide?
The canonical SMILES for 3-cyano-N-(5-fluoro-2-pyridinyl)-4-(2-phenylphenoxy)benzenesulfonamide is N#Cc1cc(S(=O)(=O)Nc2ccc(F)cn2)ccc1Oc1ccccc1-c1ccccc1.
What is the InChIKey of 3-cyano-N-(5-fluoro-2-pyridinyl)-4-(2-phenylphenoxy)benzenesulfonamide?
The InChIKey is TWMIQDQQFBBJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN3O3S/c25-19-10-13-24(27-16-19)28-32(29,30)20-11-12-22(18(14-20)15-26)31-23-9-5-4-8-21(23)17-6-2-1-3-7-17/h1-14,16H,(H,27,28).
What are the key properties of 3-cyano-N-(5-fluoro-2-pyridinyl)-4-(2-phenylphenoxy)benzenesulfonamide?
3-cyano-N-(5-fluoro-2-pyridinyl)-4-(2-phenylphenoxy)benzenesulfonamide has a molecular weight of 445.48 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(5-fluoro-2-pyridinyl)-4-(2-phenylphenoxy)benzenesulfonamide is sourced from PubChem (CID 71718141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).