(3-cyano-5-fluorophenyl)methanesulfonyl chloride

C8H5ClFNO2S — CID 114763838

IUPAC(3-cyano-5-fluorophenyl)methanesulfonyl chloride
SMILESN#Cc1cc(F)cc(CS(=O)(=O)Cl)c1
InChIInChI=1S/C8H5ClFNO2S/c9-14(12,13)5-7-1-6(4-11)2-8(10)3-7/h1-3H,5H2
InChIKeyOQUODIDZGSLXBK-UHFFFAOYSA-N
MW233.65 g/mol
LogP1.77
Rot. Bonds2

About (3-cyano-5-fluorophenyl)methanesulfonyl chloride

(3-cyano-5-fluorophenyl)methanesulfonyl chloride (PubChem CID 114763838) has the molecular formula C8H5ClFNO2S and a molecular weight of 233.65 g/mol. Its IUPAC name is (3-cyano-5-fluorophenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(3-cyano-5-fluorophenyl)methanesulfonyl chloride
PubChem CID114763838
Molecular FormulaC8H5ClFNO2S
Molecular Weight233.65 g/mol
Exact Mass232.97
IUPAC Name(3-cyano-5-fluorophenyl)methanesulfonyl chloride
SMILESN#Cc1cc(F)cc(CS(=O)(=O)Cl)c1
InChIInChI=1S/C8H5ClFNO2S/c9-14(12,13)5-7-1-6(4-11)2-8(10)3-7/h1-3H,5H2
InChIKeyOQUODIDZGSLXBK-UHFFFAOYSA-N
XLogP1.77
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.65
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-cyano-5-fluorophenyl)methanesulfonyl chloride?
The IUPAC name of (3-cyano-5-fluorophenyl)methanesulfonyl chloride (CID 114763838) is (3-cyano-5-fluorophenyl)methanesulfonyl chloride.
What is the SMILES notation for (3-cyano-5-fluorophenyl)methanesulfonyl chloride?
The canonical SMILES for (3-cyano-5-fluorophenyl)methanesulfonyl chloride is N#Cc1cc(F)cc(CS(=O)(=O)Cl)c1.
What is the InChIKey of (3-cyano-5-fluorophenyl)methanesulfonyl chloride?
The InChIKey is OQUODIDZGSLXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClFNO2S/c9-14(12,13)5-7-1-6(4-11)2-8(10)3-7/h1-3H,5H2.
What are the key properties of (3-cyano-5-fluorophenyl)methanesulfonyl chloride?
(3-cyano-5-fluorophenyl)methanesulfonyl chloride has a molecular weight of 233.65 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyano-5-fluorophenyl)methanesulfonyl chloride is sourced from PubChem (CID 114763838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).