3-(3-chlorophenyl)-5-fluorobenzenesulfonyl chloride

C12H7Cl2FO2S — CID 82308576

IUPAC3-(3-chlorophenyl)-5-fluorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(F)cc(-c2cccc(Cl)c2)c1
InChIInChI=1S/C12H7Cl2FO2S/c13-10-3-1-2-8(4-10)9-5-11(15)7-12(6-9)18(14,16)17/h1-7H
InChIKeyONYUDFHLQOTVJX-UHFFFAOYSA-N
MW305.16 g/mol
LogP4.07
Rot. Bonds2

About 3-(3-chlorophenyl)-5-fluorobenzenesulfonyl chloride

3-(3-chlorophenyl)-5-fluorobenzenesulfonyl chloride (PubChem CID 82308576) has the molecular formula C12H7Cl2FO2S and a molecular weight of 305.16 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-5-fluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name3-(3-chlorophenyl)-5-fluorobenzenesulfonyl chloride
PubChem CID82308576
Molecular FormulaC12H7Cl2FO2S
Molecular Weight305.16 g/mol
Exact Mass303.95
IUPAC Name3-(3-chlorophenyl)-5-fluorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(F)cc(-c2cccc(Cl)c2)c1
InChIInChI=1S/C12H7Cl2FO2S/c13-10-3-1-2-8(4-10)9-5-11(15)7-12(6-9)18(14,16)17/h1-7H
InChIKeyONYUDFHLQOTVJX-UHFFFAOYSA-N
XLogP4.07
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-difluorophenyl)-5-fluorobenzenesulfonyl chloride
CID 98663700
3-fluoro-5-pyridin-3-ylbenzenesulfonyl chloride
CID 46315530
3-(4-chlorophenyl)benzenesulfonyl chloride
CID 3502760
3-fluoro-4-(3-fluorophenyl)benzenesulfonyl chloride
CID 46312302
4-[2-(3-chlorophenyl)-4,5-difluorophenyl]benzenesulfonamide
CID 18930755
3-(4-fluorophenyl)-5-(trifluoromethyl)benzenesulfonyl chloride
CID 46313179
2-(3-chlorophenyl)-1,3-benzoxazole-6-sulfonyl chloride
CID 82358054
5-(3-chlorophenyl)-2,3-difluoroaniline
CID 169493264
3-chloro-1-fluoro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 71309867
4-chloro-3,5-difluorobenzenesulfonyl chloride
CID 84705948
4-(3-chlorophenyl)-1-fluoro-2-(trifluoromethyl)benzene
CID 45156540
2-(3-chlorophenyl)-8-fluoro-3-(3-fluorophenyl)sulfonylquinoline
CID 91595214

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-5-fluorobenzenesulfonyl chloride?
The IUPAC name of 3-(3-chlorophenyl)-5-fluorobenzenesulfonyl chloride (CID 82308576) is 3-(3-chlorophenyl)-5-fluorobenzenesulfonyl chloride.
What is the SMILES notation for 3-(3-chlorophenyl)-5-fluorobenzenesulfonyl chloride?
The canonical SMILES for 3-(3-chlorophenyl)-5-fluorobenzenesulfonyl chloride is O=S(=O)(Cl)c1cc(F)cc(-c2cccc(Cl)c2)c1.
What is the InChIKey of 3-(3-chlorophenyl)-5-fluorobenzenesulfonyl chloride?
The InChIKey is ONYUDFHLQOTVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2FO2S/c13-10-3-1-2-8(4-10)9-5-11(15)7-12(6-9)18(14,16)17/h1-7H.
What are the key properties of 3-(3-chlorophenyl)-5-fluorobenzenesulfonyl chloride?
3-(3-chlorophenyl)-5-fluorobenzenesulfonyl chloride has a molecular weight of 305.16 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-5-fluorobenzenesulfonyl chloride is sourced from PubChem (CID 82308576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).