3-cyano-2-[(4-fluorophenyl)-(4-methoxyphenyl)methoxy]-6-pyridin-3-ylbenzenesulfonamide

C26H20FN3O4S — CID 67718981

IUPAC3-cyano-2-[(4-fluorophenyl)-(4-methoxyphenyl)methoxy]-6-pyridin-3-ylbenzenesulfonamide
SMILESCOc1ccc(C(Oc2c(C#N)ccc(-c3cccnc3)c2S(N)(=O)=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C26H20FN3O4S/c1-33-22-11-6-18(7-12-22)24(17-4-9-21(27)10-5-17)34-25-19(15-28)8-13-23(26(25)35(29,31)32)20-3-2-14-30-16-20/h2-14,16,24H,1H3,(H2,29,31,32)
InChIKeyISQNUWCOCFRIIV-UHFFFAOYSA-N
MW489.53 g/mol
LogP4.58
Rot. Bonds7

About 3-cyano-2-[(4-fluorophenyl)-(4-methoxyphenyl)methoxy]-6-pyridin-3-ylbenzenesulfonamide

3-cyano-2-[(4-fluorophenyl)-(4-methoxyphenyl)methoxy]-6-pyridin-3-ylbenzenesulfonamide (PubChem CID 67718981) has the molecular formula C26H20FN3O4S and a molecular weight of 489.53 g/mol. Its IUPAC name is 3-cyano-2-[(4-fluorophenyl)-(4-methoxyphenyl)methoxy]-6-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-cyano-2-[(4-fluorophenyl)-(4-methoxyphenyl)methoxy]-6-pyridin-3-ylbenzenesulfonamide
PubChem CID67718981
Molecular FormulaC26H20FN3O4S
Molecular Weight489.53 g/mol
Exact Mass489.12
IUPAC Name3-cyano-2-[(4-fluorophenyl)-(4-methoxyphenyl)methoxy]-6-pyridin-3-ylbenzenesulfonamide
SMILESCOc1ccc(C(Oc2c(C#N)ccc(-c3cccnc3)c2S(N)(=O)=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C26H20FN3O4S/c1-33-22-11-6-18(7-12-22)24(17-4-9-21(27)10-5-17)34-25-19(15-28)8-13-23(26(25)35(29,31)32)20-3-2-14-30-16-20/h2-14,16,24H,1H3,(H2,29,31,32)
InChIKeyISQNUWCOCFRIIV-UHFFFAOYSA-N
XLogP4.58
TPSA115.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.53
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-2-pyridin-3-ylbenzonitrile
CID 46315558
2-pyridin-3-ylnaphthalene-1-sulfonamide
CID 174641658
3-(2,4-dimethoxyphenyl)pyridine
CID 46316965
6-(4-methoxyphenyl)-2-oxo-4-pyridin-3-yl-1H-pyridine-3-carbonitrile
CID 724369
4-methoxy-2-pyridin-3-ylaniline
CID 71445761
4-fluoro-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 9156809
4-fluoro-2-(4-methoxyphenyl)benzonitrile
CID 67042916
2-[[3-cyano-4-(4-methoxyphenyl)-6-pyridin-3-yl-2-pyridinyl]sulfanyl]acetamide
CID 46242707
N-(2-fluorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 67298112
2-[(4-fluorophenyl)methylsulfanyl]-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 25249091
5-(4-methoxyphenyl)-2-pyridin-3-ylpyridine
CID 59027680
4-[5-cyano-2-(4-fluorophenyl)-6-(pyridin-3-ylmethoxy)-3-pyridinyl]benzenesulfonamide
CID 70273806

Frequently Asked Questions

What is the IUPAC name of 3-cyano-2-[(4-fluorophenyl)-(4-methoxyphenyl)methoxy]-6-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of 3-cyano-2-[(4-fluorophenyl)-(4-methoxyphenyl)methoxy]-6-pyridin-3-ylbenzenesulfonamide (CID 67718981) is 3-cyano-2-[(4-fluorophenyl)-(4-methoxyphenyl)methoxy]-6-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 3-cyano-2-[(4-fluorophenyl)-(4-methoxyphenyl)methoxy]-6-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 3-cyano-2-[(4-fluorophenyl)-(4-methoxyphenyl)methoxy]-6-pyridin-3-ylbenzenesulfonamide is COc1ccc(C(Oc2c(C#N)ccc(-c3cccnc3)c2S(N)(=O)=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 3-cyano-2-[(4-fluorophenyl)-(4-methoxyphenyl)methoxy]-6-pyridin-3-ylbenzenesulfonamide?
The InChIKey is ISQNUWCOCFRIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN3O4S/c1-33-22-11-6-18(7-12-22)24(17-4-9-21(27)10-5-17)34-25-19(15-28)8-13-23(26(25)35(29,31)32)20-3-2-14-30-16-20/h2-14,16,24H,1H3,(H2,29,31,32).
What are the key properties of 3-cyano-2-[(4-fluorophenyl)-(4-methoxyphenyl)methoxy]-6-pyridin-3-ylbenzenesulfonamide?
3-cyano-2-[(4-fluorophenyl)-(4-methoxyphenyl)methoxy]-6-pyridin-3-ylbenzenesulfonamide has a molecular weight of 489.53 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-2-[(4-fluorophenyl)-(4-methoxyphenyl)methoxy]-6-pyridin-3-ylbenzenesulfonamide is sourced from PubChem (CID 67718981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).