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

C18H12ClF2NO2S — CID 18930755

IUPAC4-[2-(3-chlorophenyl)-4,5-difluorophenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cc(F)c(F)cc2-c2cccc(Cl)c2)cc1
InChIInChI=1S/C18H12ClF2NO2S/c19-13-3-1-2-12(8-13)16-10-18(21)17(20)9-15(16)11-4-6-14(7-5-11)25(22,23)24/h1-10H,(H2,22,23,24)
InChIKeyQZEPYZONMNDWSJ-UHFFFAOYSA-N
MW379.82 g/mol
LogP4.60
Rot. Bonds3

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

4-[2-(3-chlorophenyl)-4,5-difluorophenyl]benzenesulfonamide (PubChem CID 18930755) has the molecular formula C18H12ClF2NO2S and a molecular weight of 379.82 g/mol. Its IUPAC name is 4-[2-(3-chlorophenyl)-4,5-difluorophenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(3-chlorophenyl)-4,5-difluorophenyl]benzenesulfonamide
PubChem CID18930755
Molecular FormulaC18H12ClF2NO2S
Molecular Weight379.82 g/mol
Exact Mass379.02
IUPAC Name4-[2-(3-chlorophenyl)-4,5-difluorophenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cc(F)c(F)cc2-c2cccc(Cl)c2)cc1
InChIInChI=1S/C18H12ClF2NO2S/c19-13-3-1-2-12(8-13)16-10-18(21)17(20)9-15(16)11-4-6-14(7-5-11)25(22,23)24/h1-10H,(H2,22,23,24)
InChIKeyQZEPYZONMNDWSJ-UHFFFAOYSA-N
XLogP4.60
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.82
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chlorophenyl)-4,5-difluorophenyl]benzenesulfonamide?
The IUPAC name of 4-[2-(3-chlorophenyl)-4,5-difluorophenyl]benzenesulfonamide (CID 18930755) is 4-[2-(3-chlorophenyl)-4,5-difluorophenyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(3-chlorophenyl)-4,5-difluorophenyl]benzenesulfonamide?
The canonical SMILES for 4-[2-(3-chlorophenyl)-4,5-difluorophenyl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2cc(F)c(F)cc2-c2cccc(Cl)c2)cc1.
What is the InChIKey of 4-[2-(3-chlorophenyl)-4,5-difluorophenyl]benzenesulfonamide?
The InChIKey is QZEPYZONMNDWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF2NO2S/c19-13-3-1-2-12(8-13)16-10-18(21)17(20)9-15(16)11-4-6-14(7-5-11)25(22,23)24/h1-10H,(H2,22,23,24).
What are the key properties of 4-[2-(3-chlorophenyl)-4,5-difluorophenyl]benzenesulfonamide?
4-[2-(3-chlorophenyl)-4,5-difluorophenyl]benzenesulfonamide has a molecular weight of 379.82 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chlorophenyl)-4,5-difluorophenyl]benzenesulfonamide is sourced from PubChem (CID 18930755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).