[3-(difluoromethylsulfanyl)phenyl]methanesulfonyl chloride

C8H7ClF2O2S2 — CID 117434501

IUPAC[3-(difluoromethylsulfanyl)phenyl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1cccc(SC(F)F)c1
InChIInChI=1S/C8H7ClF2O2S2/c9-15(12,13)5-6-2-1-3-7(4-6)14-8(10)11/h1-4,8H,5H2
InChIKeyOQXNYFBLXITCJP-UHFFFAOYSA-N
MW272.73 g/mol
LogP3.07
Rot. Bonds4

About [3-(difluoromethylsulfanyl)phenyl]methanesulfonyl chloride

[3-(difluoromethylsulfanyl)phenyl]methanesulfonyl chloride (PubChem CID 117434501) has the molecular formula C8H7ClF2O2S2 and a molecular weight of 272.73 g/mol. Its IUPAC name is [3-(difluoromethylsulfanyl)phenyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[3-(difluoromethylsulfanyl)phenyl]methanesulfonyl chloride
PubChem CID117434501
Molecular FormulaC8H7ClF2O2S2
Molecular Weight272.73 g/mol
Exact Mass271.95
IUPAC Name[3-(difluoromethylsulfanyl)phenyl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1cccc(SC(F)F)c1
InChIInChI=1S/C8H7ClF2O2S2/c9-15(12,13)5-6-2-1-3-7(4-6)14-8(10)11/h1-4,8H,5H2
InChIKeyOQXNYFBLXITCJP-UHFFFAOYSA-N
XLogP3.07
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(chlorosulfonylmethyl)phenyl]methanesulfonyl chloride
CID 18676560
2-[3-(difluoromethylsulfanyl)phenyl]acetic acid
CID 117310720
O-[[3-(difluoromethylsulfanyl)phenyl]methyl]hydroxylamine
CID 117293314
(3-chlorophenyl)methanesulfonyl chloride
CID 2757802
2-[3-(difluoromethylsulfanyl)phenyl]-N-methylethanamine
CID 117309692
[3-(2,2,2-trifluoroethyl)phenyl]methanesulfonyl chloride
CID 84713401
1-[3-(difluoromethylsulfanyl)phenyl]-N-methoxymethanamine
CID 117312262
[3-(diethylamino)phenyl]methanesulfonyl chloride
CID 117409254
[3-(1-hydroxyethyl)phenyl]methanesulfonyl chloride
CID 117117225
(3-pentan-3-ylphenyl)methanesulfonyl chloride
CID 84710323
3-(chlorosulfonylmethyl)benzoyl chloride
CID 163930770
[3-(1-methoxyethyl)phenyl]methanesulfonyl chloride
CID 117117226

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethylsulfanyl)phenyl]methanesulfonyl chloride?
The IUPAC name of [3-(difluoromethylsulfanyl)phenyl]methanesulfonyl chloride (CID 117434501) is [3-(difluoromethylsulfanyl)phenyl]methanesulfonyl chloride.
What is the SMILES notation for [3-(difluoromethylsulfanyl)phenyl]methanesulfonyl chloride?
The canonical SMILES for [3-(difluoromethylsulfanyl)phenyl]methanesulfonyl chloride is O=S(=O)(Cl)Cc1cccc(SC(F)F)c1.
What is the InChIKey of [3-(difluoromethylsulfanyl)phenyl]methanesulfonyl chloride?
The InChIKey is OQXNYFBLXITCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2O2S2/c9-15(12,13)5-6-2-1-3-7(4-6)14-8(10)11/h1-4,8H,5H2.
What are the key properties of [3-(difluoromethylsulfanyl)phenyl]methanesulfonyl chloride?
[3-(difluoromethylsulfanyl)phenyl]methanesulfonyl chloride has a molecular weight of 272.73 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethylsulfanyl)phenyl]methanesulfonyl chloride is sourced from PubChem (CID 117434501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).