4-(4-fluorophenyl)-3-methylbenzenesulfonyl chloride

C13H10ClFO2S — CID 82307548

IUPAC4-(4-fluorophenyl)-3-methylbenzenesulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)ccc1-c1ccc(F)cc1
InChIInChI=1S/C13H10ClFO2S/c1-9-8-12(18(14,16)17)6-7-13(9)10-2-4-11(15)5-3-10/h2-8H,1H3
InChIKeyVWIDJRRDNNDZHK-UHFFFAOYSA-N
MW284.74 g/mol
LogP3.73
Rot. Bonds2

About 4-(4-fluorophenyl)-3-methylbenzenesulfonyl chloride

4-(4-fluorophenyl)-3-methylbenzenesulfonyl chloride (PubChem CID 82307548) has the molecular formula C13H10ClFO2S and a molecular weight of 284.74 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-methylbenzenesulfonyl chloride
PubChem CID82307548
Molecular FormulaC13H10ClFO2S
Molecular Weight284.74 g/mol
Exact Mass284.01
IUPAC Name4-(4-fluorophenyl)-3-methylbenzenesulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)ccc1-c1ccc(F)cc1
InChIInChI=1S/C13H10ClFO2S/c1-9-8-12(18(14,16)17)6-7-13(9)10-2-4-11(15)5-3-10/h2-8H,1H3
InChIKeyVWIDJRRDNNDZHK-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
4-chloro-1-(4-fluorophenyl)-2-methylbenzene
CID 46314507
3-(4-fluorophenyl)-5-methylbenzenesulfonyl chloride
CID 82307552
3-fluoro-4-(2-methylphenyl)benzenesulfonyl chloride
CID 115059706
4-bromo-1-(4-fluorophenyl)-2-methylbenzene
CID 67156128
5-(4-fluorophenyl)-2-methylbenzenesulfonyl chloride
CID 82307551
2-(4-fluorophenyl)-5-methylsulfonylaniline
CID 175686631
ethane;1-(4-fluorophenyl)sulfonyl-4-phenylbenzene;4-[4-(4-fluorophenyl)sulfonylphenyl]benzenesulfonyl chloride
CID 143079369
3-fluoro-4-(3-fluorophenyl)benzenesulfonyl chloride
CID 46312302
fluoromethane;4-methylbenzenesulfonyl chloride
CID 91127409
2-[4-(4-fluorophenyl)-3-methylphenyl]-2-oxoacetamide
CID 144811331
3-methyl-4-sulfamoylbenzenesulfonyl chloride
CID 63179688

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3-methylbenzenesulfonyl chloride?
The IUPAC name of 4-(4-fluorophenyl)-3-methylbenzenesulfonyl chloride (CID 82307548) is 4-(4-fluorophenyl)-3-methylbenzenesulfonyl chloride.
What is the SMILES notation for 4-(4-fluorophenyl)-3-methylbenzenesulfonyl chloride?
The canonical SMILES for 4-(4-fluorophenyl)-3-methylbenzenesulfonyl chloride is Cc1cc(S(=O)(=O)Cl)ccc1-c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-3-methylbenzenesulfonyl chloride?
The InChIKey is VWIDJRRDNNDZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFO2S/c1-9-8-12(18(14,16)17)6-7-13(9)10-2-4-11(15)5-3-10/h2-8H,1H3.
What are the key properties of 4-(4-fluorophenyl)-3-methylbenzenesulfonyl chloride?
4-(4-fluorophenyl)-3-methylbenzenesulfonyl 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 4-(4-fluorophenyl)-3-methylbenzenesulfonyl chloride is sourced from PubChem (CID 82307548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).