3-fluoro-4-(2-methylphenyl)benzenesulfonyl chloride

C13H10ClFO2S — CID 115059706

IUPAC3-fluoro-4-(2-methylphenyl)benzenesulfonyl chloride
SMILESCc1ccccc1-c1ccc(S(=O)(=O)Cl)cc1F
InChIInChI=1S/C13H10ClFO2S/c1-9-4-2-3-5-11(9)12-7-6-10(8-13(12)15)18(14,16)17/h2-8H,1H3
InChIKeyMZNLNRIDNSITDR-UHFFFAOYSA-N
MW284.74 g/mol
LogP3.73
Rot. Bonds2

About 3-fluoro-4-(2-methylphenyl)benzenesulfonyl chloride

3-fluoro-4-(2-methylphenyl)benzenesulfonyl chloride (PubChem CID 115059706) has the molecular formula C13H10ClFO2S and a molecular weight of 284.74 g/mol. Its IUPAC name is 3-fluoro-4-(2-methylphenyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-fluoro-4-(2-methylphenyl)benzenesulfonyl chloride
PubChem CID115059706
Molecular FormulaC13H10ClFO2S
Molecular Weight284.74 g/mol
Exact Mass284.01
IUPAC Name3-fluoro-4-(2-methylphenyl)benzenesulfonyl chloride
SMILESCc1ccccc1-c1ccc(S(=O)(=O)Cl)cc1F
InChIInChI=1S/C13H10ClFO2S/c1-9-4-2-3-5-11(9)12-7-6-10(8-13(12)15)18(14,16)17/h2-8H,1H3
InChIKeyMZNLNRIDNSITDR-UHFFFAOYSA-N
XLogP3.73
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-4-(2-methylphenyl)benzenesulfonyl chloride
CID 82307263
3-ethyl-4-(2-methylphenyl)benzenesulfonyl chloride
CID 87181195
3-fluoro-4-(3-fluorophenyl)benzenesulfonyl chloride
CID 46312302
4-(4-fluorophenyl)-3-methylbenzenesulfonyl chloride
CID 82307548
3-(2-methoxyphenyl)-4-methylbenzenesulfonyl chloride
CID 82308085
3-hydroxy-4-(2-hydroxyphenyl)benzenesulfonyl chloride
CID 115059723
2-(2-methylphenyl)-1,3-benzoxazole-6-sulfonyl chloride
CID 82358041
4-chloro-2-methyl-1-(2-methylphenyl)benzene
CID 70849207
3-[(2-fluorophenyl)sulfamoyl]-4-methylbenzenesulfonyl chloride
CID 16782218
5-methylnaphthalene-2-sulfonyl chloride
CID 55280265
3-fluoro-4-methylsulfinylbenzenesulfonyl chloride
CID 116684865
4-chloro-3,5-difluorobenzenesulfonyl chloride
CID 84705948

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(2-methylphenyl)benzenesulfonyl chloride?
The IUPAC name of 3-fluoro-4-(2-methylphenyl)benzenesulfonyl chloride (CID 115059706) is 3-fluoro-4-(2-methylphenyl)benzenesulfonyl chloride.
What is the SMILES notation for 3-fluoro-4-(2-methylphenyl)benzenesulfonyl chloride?
The canonical SMILES for 3-fluoro-4-(2-methylphenyl)benzenesulfonyl chloride is Cc1ccccc1-c1ccc(S(=O)(=O)Cl)cc1F.
What is the InChIKey of 3-fluoro-4-(2-methylphenyl)benzenesulfonyl chloride?
The InChIKey is MZNLNRIDNSITDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFO2S/c1-9-4-2-3-5-11(9)12-7-6-10(8-13(12)15)18(14,16)17/h2-8H,1H3.
What are the key properties of 3-fluoro-4-(2-methylphenyl)benzenesulfonyl chloride?
3-fluoro-4-(2-methylphenyl)benzenesulfonyl chloride has a molecular weight of 284.74 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(2-methylphenyl)benzenesulfonyl chloride is sourced from PubChem (CID 115059706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).