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

C19H14F3NO2S — CID 10571627

IUPAC4-[4,5-difluoro-2-(4-fluoro-3-methylphenyl)phenyl]benzenesulfonamide
SMILESCc1cc(-c2cc(F)c(F)cc2-c2ccc(S(N)(=O)=O)cc2)ccc1F
InChIInChI=1S/C19H14F3NO2S/c1-11-8-13(4-7-17(11)20)16-10-19(22)18(21)9-15(16)12-2-5-14(6-3-12)26(23,24)25/h2-10H,1H3,(H2,23,24,25)
InChIKeyOQARYRSGLRPZDG-UHFFFAOYSA-N
MW377.39 g/mol
LogP4.39
Rot. Bonds3

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

4-[4,5-difluoro-2-(4-fluoro-3-methylphenyl)phenyl]benzenesulfonamide (PubChem CID 10571627) has the molecular formula C19H14F3NO2S and a molecular weight of 377.39 g/mol. Its IUPAC name is 4-[4,5-difluoro-2-(4-fluoro-3-methylphenyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4,5-difluoro-2-(4-fluoro-3-methylphenyl)phenyl]benzenesulfonamide
PubChem CID10571627
Molecular FormulaC19H14F3NO2S
Molecular Weight377.39 g/mol
Exact Mass377.07
IUPAC Name4-[4,5-difluoro-2-(4-fluoro-3-methylphenyl)phenyl]benzenesulfonamide
SMILESCc1cc(-c2cc(F)c(F)cc2-c2ccc(S(N)(=O)=O)cc2)ccc1F
InChIInChI=1S/C19H14F3NO2S/c1-11-8-13(4-7-17(11)20)16-10-19(22)18(21)9-15(16)12-2-5-14(6-3-12)26(23,24)25/h2-10H,1H3,(H2,23,24,25)
InChIKeyOQARYRSGLRPZDG-UHFFFAOYSA-N
XLogP4.39
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4,5-difluoro-2-(4-fluoro-3-methylphenyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-[4,5-difluoro-2-(4-fluoro-3-methylphenyl)phenyl]benzenesulfonamide (CID 10571627) is 4-[4,5-difluoro-2-(4-fluoro-3-methylphenyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-[4,5-difluoro-2-(4-fluoro-3-methylphenyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-[4,5-difluoro-2-(4-fluoro-3-methylphenyl)phenyl]benzenesulfonamide is Cc1cc(-c2cc(F)c(F)cc2-c2ccc(S(N)(=O)=O)cc2)ccc1F.
What is the InChIKey of 4-[4,5-difluoro-2-(4-fluoro-3-methylphenyl)phenyl]benzenesulfonamide?
The InChIKey is OQARYRSGLRPZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO2S/c1-11-8-13(4-7-17(11)20)16-10-19(22)18(21)9-15(16)12-2-5-14(6-3-12)26(23,24)25/h2-10H,1H3,(H2,23,24,25).
What are the key properties of 4-[4,5-difluoro-2-(4-fluoro-3-methylphenyl)phenyl]benzenesulfonamide?
4-[4,5-difluoro-2-(4-fluoro-3-methylphenyl)phenyl]benzenesulfonamide has a molecular weight of 377.39 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,5-difluoro-2-(4-fluoro-3-methylphenyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 10571627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).