4-[2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide

C19H16FNO3S — CID 10808251

IUPAC4-[2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(-c2ccccc2-c2ccc(S(N)(=O)=O)cc2)cc1F
InChIInChI=1S/C19H16FNO3S/c1-24-19-11-8-14(12-18(19)20)17-5-3-2-4-16(17)13-6-9-15(10-7-13)25(21,22)23/h2-12H,1H3,(H2,21,22,23)
InChIKeyVLZYADILQZRSFD-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.82
Rot. Bonds4

About 4-[2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide

4-[2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide (PubChem CID 10808251) has the molecular formula C19H16FNO3S and a molecular weight of 357.41 g/mol. Its IUPAC name is 4-[2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide
PubChem CID10808251
Molecular FormulaC19H16FNO3S
Molecular Weight357.41 g/mol
Exact Mass357.08
IUPAC Name4-[2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(-c2ccccc2-c2ccc(S(N)(=O)=O)cc2)cc1F
InChIInChI=1S/C19H16FNO3S/c1-24-19-11-8-14(12-18(19)20)17-5-3-2-4-16(17)13-6-9-15(10-7-13)25(21,22)23/h2-12H,1H3,(H2,21,22,23)
InChIKeyVLZYADILQZRSFD-UHFFFAOYSA-N
XLogP3.82
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[3-methoxy-4-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide
CID 23451260
4-[5-(3-fluoro-4-methoxyphenyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide
CID 23370587
4-(2-fluoro-3-methoxyphenyl)benzenesulfonamide
CID 173256042
2-fluoro-4-(2-fluorophenyl)-1-methoxybenzene
CID 46312218
4-[3-(3-fluoro-4-methoxyphenyl)-5-methyl-1,2-thiazol-4-yl]benzenesulfonamide
CID 67578397
4-[2-(4-methylphenyl)phenyl]benzenesulfonamide
CID 23451018
4-[3-hydroxy-2-(2-methoxyphenyl)phenyl]benzenesulfonamide
CID 174432031
4-[2-[3,5-dimethoxy-4-(trifluoromethyl)phenyl]-4,5-difluorophenyl]benzenesulfonamide
CID 23451308
3-fluoro-4-methoxy-N-(2-phenylphenyl)benzenesulfonamide
CID 39825493
4-[2-[3,5-bis(dimethylamino)-4-fluorophenyl]phenyl]benzenesulfonamide
CID 23451025
4-[2-butoxy-6-(3-fluoro-4-methoxyphenyl)-3-(hydroxymethyl)-4-pyridinyl]benzenesulfonamide
CID 23218036
2-[4,5-difluoro-2-(4-methoxy-3-methylphenyl)phenyl]benzenesulfonamide
CID 67654311

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-[2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide (CID 10808251) is 4-[2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-[2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide is COc1ccc(-c2ccccc2-c2ccc(S(N)(=O)=O)cc2)cc1F.
What is the InChIKey of 4-[2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide?
The InChIKey is VLZYADILQZRSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO3S/c1-24-19-11-8-14(12-18(19)20)17-5-3-2-4-16(17)13-6-9-15(10-7-13)25(21,22)23/h2-12H,1H3,(H2,21,22,23).
What are the key properties of 4-[2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide?
4-[2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide has a molecular weight of 357.41 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 10808251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).