2-chloro-4-fluoro-5-(2,4,6-trifluorophenyl)benzenesulfonamide

C12H6ClF4NO2S — CID 170318827

IUPAC2-chloro-4-fluoro-5-(2,4,6-trifluorophenyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(-c2c(F)cc(F)cc2F)c(F)cc1Cl
InChIInChI=1S/C12H6ClF4NO2S/c13-7-4-8(15)6(3-11(7)21(18,19)20)12-9(16)1-5(14)2-10(12)17/h1-4H,(H2,18,19,20)
InChIKeyRYFOUBUUBGSPBS-UHFFFAOYSA-N
MW339.70 g/mol
LogP3.21
Rot. Bonds2

About 2-chloro-4-fluoro-5-(2,4,6-trifluorophenyl)benzenesulfonamide

2-chloro-4-fluoro-5-(2,4,6-trifluorophenyl)benzenesulfonamide (PubChem CID 170318827) has the molecular formula C12H6ClF4NO2S and a molecular weight of 339.70 g/mol. Its IUPAC name is 2-chloro-4-fluoro-5-(2,4,6-trifluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-5-(2,4,6-trifluorophenyl)benzenesulfonamide
PubChem CID170318827
Molecular FormulaC12H6ClF4NO2S
Molecular Weight339.70 g/mol
Exact Mass338.97
IUPAC Name2-chloro-4-fluoro-5-(2,4,6-trifluorophenyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(-c2c(F)cc(F)cc2F)c(F)cc1Cl
InChIInChI=1S/C12H6ClF4NO2S/c13-7-4-8(15)6(3-11(7)21(18,19)20)12-9(16)1-5(14)2-10(12)17/h1-4H,(H2,18,19,20)
InChIKeyRYFOUBUUBGSPBS-UHFFFAOYSA-N
XLogP3.21
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.70
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-5-(2,4,6-trifluorophenyl)benzenesulfonamide?
The IUPAC name of 2-chloro-4-fluoro-5-(2,4,6-trifluorophenyl)benzenesulfonamide (CID 170318827) is 2-chloro-4-fluoro-5-(2,4,6-trifluorophenyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-fluoro-5-(2,4,6-trifluorophenyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-4-fluoro-5-(2,4,6-trifluorophenyl)benzenesulfonamide is NS(=O)(=O)c1cc(-c2c(F)cc(F)cc2F)c(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-5-(2,4,6-trifluorophenyl)benzenesulfonamide?
The InChIKey is RYFOUBUUBGSPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF4NO2S/c13-7-4-8(15)6(3-11(7)21(18,19)20)12-9(16)1-5(14)2-10(12)17/h1-4H,(H2,18,19,20).
What are the key properties of 2-chloro-4-fluoro-5-(2,4,6-trifluorophenyl)benzenesulfonamide?
2-chloro-4-fluoro-5-(2,4,6-trifluorophenyl)benzenesulfonamide has a molecular weight of 339.70 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-5-(2,4,6-trifluorophenyl)benzenesulfonamide is sourced from PubChem (CID 170318827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).