2-[2-(3,5-difluoro-4-methoxyphenyl)phenyl]benzenesulfonamide

C19H15F2NO3S — CID 23217413

IUPAC2-[2-(3,5-difluoro-4-methoxyphenyl)phenyl]benzenesulfonamide
SMILESCOc1c(F)cc(-c2ccccc2-c2ccccc2S(N)(=O)=O)cc1F
InChIInChI=1S/C19H15F2NO3S/c1-25-19-16(20)10-12(11-17(19)21)13-6-2-3-7-14(13)15-8-4-5-9-18(15)26(22,23)24/h2-11H,1H3,(H2,22,23,24)
InChIKeyPQXSSJISYLCVGX-UHFFFAOYSA-N
MW375.40 g/mol
LogP3.95
Rot. Bonds4

About 2-[2-(3,5-difluoro-4-methoxyphenyl)phenyl]benzenesulfonamide

2-[2-(3,5-difluoro-4-methoxyphenyl)phenyl]benzenesulfonamide (PubChem CID 23217413) has the molecular formula C19H15F2NO3S and a molecular weight of 375.40 g/mol. Its IUPAC name is 2-[2-(3,5-difluoro-4-methoxyphenyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-[2-(3,5-difluoro-4-methoxyphenyl)phenyl]benzenesulfonamide
PubChem CID23217413
Molecular FormulaC19H15F2NO3S
Molecular Weight375.40 g/mol
Exact Mass375.07
IUPAC Name2-[2-(3,5-difluoro-4-methoxyphenyl)phenyl]benzenesulfonamide
SMILESCOc1c(F)cc(-c2ccccc2-c2ccccc2S(N)(=O)=O)cc1F
InChIInChI=1S/C19H15F2NO3S/c1-25-19-16(20)10-12(11-17(19)21)13-6-2-3-7-14(13)15-8-4-5-9-18(15)26(22,23)24/h2-11H,1H3,(H2,22,23,24)
InChIKeyPQXSSJISYLCVGX-UHFFFAOYSA-N
XLogP3.95
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(3-Fluoro-4-methoxy-phenyl)-cyclopent-1-enyl]-benzenesulfonamide
CID 10269175
4-[4,5-Difluoro-2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide
CID 10385880
1,2-Difluoro-4-(3-fluoro-4-methoxyphenyl)-5-[4-(methylsulfonyl)phenyl]benzene
CID 10548520
4-(2-(4-Methoxyphenyl)cyclopent-1-enyl)benzenesulfonamide
CID 10592466
4-[2-(3,4-Dimethoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide
CID 10621294
4-[6-(3-Fluoro-4-methoxy-phenyl)-spiro[2.4]hept-5-en-5-yl]-benzenesulfonamide
CID 10643086
1,2-Difluoro-4-(4-methoxy-3-methylpheny)-5-[4-(methylsulfonyl)phenyl]benzene
CID 10739009
3-Fluoro-4-methoxy-[1,1'';2'',1'''']terphenyl-4''''-sulfonic acid amide
CID 10808251
4-[4,5-Difluoro-2-(4-methoxy-3-methylphenyl)phenyl]benzenesulfonamide
CID 10834201
1,2-Difluoro-3-(3-fluoro-4-methoxyphenyl)-4-(4-methylsulfonylphenyl)benzene
CID 44394200
1,2-Difluoro-3-(4-methoxy-3-methylphenyl)-4-(4-methylsulfonylphenyl)benzene
CID 44394204
4-[3,4-Difluoro-2-(4-methoxy-3-methylphenyl)phenyl]benzenesulfonamide
CID 44394205

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-difluoro-4-methoxyphenyl)phenyl]benzenesulfonamide?
The IUPAC name of 2-[2-(3,5-difluoro-4-methoxyphenyl)phenyl]benzenesulfonamide (CID 23217413) is 2-[2-(3,5-difluoro-4-methoxyphenyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-[2-(3,5-difluoro-4-methoxyphenyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-[2-(3,5-difluoro-4-methoxyphenyl)phenyl]benzenesulfonamide is COc1c(F)cc(-c2ccccc2-c2ccccc2S(N)(=O)=O)cc1F.
What is the InChIKey of 2-[2-(3,5-difluoro-4-methoxyphenyl)phenyl]benzenesulfonamide?
The InChIKey is PQXSSJISYLCVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO3S/c1-25-19-16(20)10-12(11-17(19)21)13-6-2-3-7-14(13)15-8-4-5-9-18(15)26(22,23)24/h2-11H,1H3,(H2,22,23,24).
What are the key properties of 2-[2-(3,5-difluoro-4-methoxyphenyl)phenyl]benzenesulfonamide?
2-[2-(3,5-difluoro-4-methoxyphenyl)phenyl]benzenesulfonamide has a molecular weight of 375.40 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-difluoro-4-methoxyphenyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 23217413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).