3,5-dichloro-N-(3,5-difluorophenyl)benzenesulfonamide

C12H7Cl2F2NO2S — CID 25014925

IUPAC3,5-dichloro-N-(3,5-difluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(F)cc(F)c1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H7Cl2F2NO2S/c13-7-1-8(14)3-12(2-7)20(18,19)17-11-5-9(15)4-10(16)6-11/h1-6,17H
InChIKeyUMBJTUYTZXLXMV-UHFFFAOYSA-N
MW338.16 g/mol
LogP4.07
Rot. Bonds3

About 3,5-dichloro-N-(3,5-difluorophenyl)benzenesulfonamide

3,5-dichloro-N-(3,5-difluorophenyl)benzenesulfonamide (PubChem CID 25014925) has the molecular formula C12H7Cl2F2NO2S and a molecular weight of 338.16 g/mol. Its IUPAC name is 3,5-dichloro-N-(3,5-difluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-(3,5-difluorophenyl)benzenesulfonamide
PubChem CID25014925
Molecular FormulaC12H7Cl2F2NO2S
Molecular Weight338.16 g/mol
Exact Mass336.95
IUPAC Name3,5-dichloro-N-(3,5-difluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(F)cc(F)c1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H7Cl2F2NO2S/c13-7-1-8(14)3-12(2-7)20(18,19)17-11-5-9(15)4-10(16)6-11/h1-6,17H
InChIKeyUMBJTUYTZXLXMV-UHFFFAOYSA-N
XLogP4.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.16
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(3,5-difluorophenyl)benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-(3,5-difluorophenyl)benzenesulfonamide (CID 25014925) is 3,5-dichloro-N-(3,5-difluorophenyl)benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-(3,5-difluorophenyl)benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-(3,5-difluorophenyl)benzenesulfonamide is O=S(=O)(Nc1cc(F)cc(F)c1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-(3,5-difluorophenyl)benzenesulfonamide?
The InChIKey is UMBJTUYTZXLXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2F2NO2S/c13-7-1-8(14)3-12(2-7)20(18,19)17-11-5-9(15)4-10(16)6-11/h1-6,17H.
What are the key properties of 3,5-dichloro-N-(3,5-difluorophenyl)benzenesulfonamide?
3,5-dichloro-N-(3,5-difluorophenyl)benzenesulfonamide has a molecular weight of 338.16 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(3,5-difluorophenyl)benzenesulfonamide is sourced from PubChem (CID 25014925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).