3-(3,5-difluorophenyl)-5-fluorobenzenesulfonyl chloride

C12H6ClF3O2S — CID 98663700

IUPAC3-(3,5-difluorophenyl)-5-fluorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(F)cc(-c2cc(F)cc(F)c2)c1
InChIInChI=1S/C12H6ClF3O2S/c13-19(17,18)12-4-8(3-11(16)6-12)7-1-9(14)5-10(15)2-7/h1-6H
InChIKeyRQZWVSYUSREHPM-UHFFFAOYSA-N
MW306.69 g/mol
LogP3.70
Rot. Bonds2

About 3-(3,5-difluorophenyl)-5-fluorobenzenesulfonyl chloride

3-(3,5-difluorophenyl)-5-fluorobenzenesulfonyl chloride (PubChem CID 98663700) has the molecular formula C12H6ClF3O2S and a molecular weight of 306.69 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-5-fluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)-5-fluorobenzenesulfonyl chloride
PubChem CID98663700
Molecular FormulaC12H6ClF3O2S
Molecular Weight306.69 g/mol
Exact Mass305.97
IUPAC Name3-(3,5-difluorophenyl)-5-fluorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(F)cc(-c2cc(F)cc(F)c2)c1
InChIInChI=1S/C12H6ClF3O2S/c13-19(17,18)12-4-8(3-11(16)6-12)7-1-9(14)5-10(15)2-7/h1-6H
InChIKeyRQZWVSYUSREHPM-UHFFFAOYSA-N
XLogP3.70
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.69
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)-5-fluorobenzenesulfonyl chloride?
The IUPAC name of 3-(3,5-difluorophenyl)-5-fluorobenzenesulfonyl chloride (CID 98663700) is 3-(3,5-difluorophenyl)-5-fluorobenzenesulfonyl chloride.
What is the SMILES notation for 3-(3,5-difluorophenyl)-5-fluorobenzenesulfonyl chloride?
The canonical SMILES for 3-(3,5-difluorophenyl)-5-fluorobenzenesulfonyl chloride is O=S(=O)(Cl)c1cc(F)cc(-c2cc(F)cc(F)c2)c1.
What is the InChIKey of 3-(3,5-difluorophenyl)-5-fluorobenzenesulfonyl chloride?
The InChIKey is RQZWVSYUSREHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF3O2S/c13-19(17,18)12-4-8(3-11(16)6-12)7-1-9(14)5-10(15)2-7/h1-6H.
What are the key properties of 3-(3,5-difluorophenyl)-5-fluorobenzenesulfonyl chloride?
3-(3,5-difluorophenyl)-5-fluorobenzenesulfonyl chloride has a molecular weight of 306.69 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)-5-fluorobenzenesulfonyl chloride is sourced from PubChem (CID 98663700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).