3-fluoro-4-methylsulfinylbenzenesulfonyl chloride

C7H6ClFO3S2 — CID 116684865

IUPAC3-fluoro-4-methylsulfinylbenzenesulfonyl chloride
SMILESCS(=O)c1ccc(S(=O)(=O)Cl)cc1F
InChIInChI=1S/C7H6ClFO3S2/c1-13(10)7-3-2-5(4-6(7)9)14(8,11)12/h2-4H,1H3
InChIKeyNHJGAVHJXCSPLH-UHFFFAOYSA-N
MW256.71 g/mol
LogP1.49
Rot. Bonds2

About 3-fluoro-4-methylsulfinylbenzenesulfonyl chloride

3-fluoro-4-methylsulfinylbenzenesulfonyl chloride (PubChem CID 116684865) has the molecular formula C7H6ClFO3S2 and a molecular weight of 256.71 g/mol. Its IUPAC name is 3-fluoro-4-methylsulfinylbenzenesulfonyl chloride.

Molecular Properties

Compound Name3-fluoro-4-methylsulfinylbenzenesulfonyl chloride
PubChem CID116684865
Molecular FormulaC7H6ClFO3S2
Molecular Weight256.71 g/mol
Exact Mass255.94
IUPAC Name3-fluoro-4-methylsulfinylbenzenesulfonyl chloride
SMILESCS(=O)c1ccc(S(=O)(=O)Cl)cc1F
InChIInChI=1S/C7H6ClFO3S2/c1-13(10)7-3-2-5(4-6(7)9)14(8,11)12/h2-4H,1H3
InChIKeyNHJGAVHJXCSPLH-UHFFFAOYSA-N
XLogP1.49
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-(2-methylphenyl)benzenesulfonyl chloride
CID 115059706
4-cyano-3-fluorobenzenesulfonyl chloride
CID 55280880
3-acetyl-4-fluorobenzenesulfonyl chloride
CID 43118906
4-chloro-3,5-difluorobenzenesulfonyl chloride
CID 84705948
3-fluoro-4-[(2-methylcyclopropyl)sulfamoyl]benzenesulfonyl chloride
CID 62397353
4-fluoro-3-isocyanobenzenesulfonyl chloride
CID 168801017
3-fluoro-4-(3-fluorophenyl)benzenesulfonyl chloride
CID 46312302
thianthrene-2,8-disulfonyl chloride
CID 19906721
3-fluoro-4-(oxan-4-yloxy)benzenesulfonyl chloride
CID 63935612
3-fluoro-4-[(3-methylcyclopentyl)sulfamoyl]benzenesulfonyl chloride
CID 114546471
3-(cyclopropylsulfamoyl)-4-fluorobenzenesulfonyl chloride
CID 65036561
fluoromethane;4-methylbenzenesulfonyl chloride
CID 91127409

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methylsulfinylbenzenesulfonyl chloride?
The IUPAC name of 3-fluoro-4-methylsulfinylbenzenesulfonyl chloride (CID 116684865) is 3-fluoro-4-methylsulfinylbenzenesulfonyl chloride.
What is the SMILES notation for 3-fluoro-4-methylsulfinylbenzenesulfonyl chloride?
The canonical SMILES for 3-fluoro-4-methylsulfinylbenzenesulfonyl chloride is CS(=O)c1ccc(S(=O)(=O)Cl)cc1F.
What is the InChIKey of 3-fluoro-4-methylsulfinylbenzenesulfonyl chloride?
The InChIKey is NHJGAVHJXCSPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFO3S2/c1-13(10)7-3-2-5(4-6(7)9)14(8,11)12/h2-4H,1H3.
What are the key properties of 3-fluoro-4-methylsulfinylbenzenesulfonyl chloride?
3-fluoro-4-methylsulfinylbenzenesulfonyl chloride has a molecular weight of 256.71 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methylsulfinylbenzenesulfonyl chloride is sourced from PubChem (CID 116684865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).