4-[2-(3-chloro-4-fluorophenyl)-4,5-difluorophenyl]benzenesulfonamide

C18H11ClF3NO2S — CID 10046378

IUPAC4-[2-(3-chloro-4-fluorophenyl)-4,5-difluorophenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cc(F)c(F)cc2-c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C18H11ClF3NO2S/c19-15-7-11(3-6-16(15)20)14-9-18(22)17(21)8-13(14)10-1-4-12(5-2-10)26(23,24)25/h1-9H,(H2,23,24,25)
InChIKeyQZOXMKNWQZCVDE-UHFFFAOYSA-N
MW397.81 g/mol
LogP4.74
Rot. Bonds3

About 4-[2-(3-chloro-4-fluorophenyl)-4,5-difluorophenyl]benzenesulfonamide

4-[2-(3-chloro-4-fluorophenyl)-4,5-difluorophenyl]benzenesulfonamide (PubChem CID 10046378) has the molecular formula C18H11ClF3NO2S and a molecular weight of 397.81 g/mol. Its IUPAC name is 4-[2-(3-chloro-4-fluorophenyl)-4,5-difluorophenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(3-chloro-4-fluorophenyl)-4,5-difluorophenyl]benzenesulfonamide
PubChem CID10046378
Molecular FormulaC18H11ClF3NO2S
Molecular Weight397.81 g/mol
Exact Mass397.02
IUPAC Name4-[2-(3-chloro-4-fluorophenyl)-4,5-difluorophenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cc(F)c(F)cc2-c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C18H11ClF3NO2S/c19-15-7-11(3-6-16(15)20)14-9-18(22)17(21)8-13(14)10-1-4-12(5-2-10)26(23,24)25/h1-9H,(H2,23,24,25)
InChIKeyQZOXMKNWQZCVDE-UHFFFAOYSA-N
XLogP4.74
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.81
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chloro-4-fluorophenyl)-4,5-difluorophenyl]benzenesulfonamide?
The IUPAC name of 4-[2-(3-chloro-4-fluorophenyl)-4,5-difluorophenyl]benzenesulfonamide (CID 10046378) is 4-[2-(3-chloro-4-fluorophenyl)-4,5-difluorophenyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(3-chloro-4-fluorophenyl)-4,5-difluorophenyl]benzenesulfonamide?
The canonical SMILES for 4-[2-(3-chloro-4-fluorophenyl)-4,5-difluorophenyl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2cc(F)c(F)cc2-c2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 4-[2-(3-chloro-4-fluorophenyl)-4,5-difluorophenyl]benzenesulfonamide?
The InChIKey is QZOXMKNWQZCVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF3NO2S/c19-15-7-11(3-6-16(15)20)14-9-18(22)17(21)8-13(14)10-1-4-12(5-2-10)26(23,24)25/h1-9H,(H2,23,24,25).
What are the key properties of 4-[2-(3-chloro-4-fluorophenyl)-4,5-difluorophenyl]benzenesulfonamide?
4-[2-(3-chloro-4-fluorophenyl)-4,5-difluorophenyl]benzenesulfonamide has a molecular weight of 397.81 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chloro-4-fluorophenyl)-4,5-difluorophenyl]benzenesulfonamide is sourced from PubChem (CID 10046378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).