fluoromethane;4-methylbenzenesulfonyl chloride

C8H10ClFO2S — CID 91127409

IUPACfluoromethane;4-methylbenzenesulfonyl chloride
SMILESCF.Cc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C7H7ClO2S.CH3F/c1-6-2-4-7(5-3-6)11(8,9)10;1-2/h2-5H,1H3;1H3
InChIKeyJAPYJWIIFVTGHY-UHFFFAOYSA-N
MW224.68 g/mol
LogP2.51
Rot. Bonds1

About fluoromethane;4-methylbenzenesulfonyl chloride

fluoromethane;4-methylbenzenesulfonyl chloride (PubChem CID 91127409) has the molecular formula C8H10ClFO2S and a molecular weight of 224.68 g/mol. Its IUPAC name is fluoromethane;4-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Namefluoromethane;4-methylbenzenesulfonyl chloride
PubChem CID91127409
Molecular FormulaC8H10ClFO2S
Molecular Weight224.68 g/mol
Exact Mass224.01
IUPAC Namefluoromethane;4-methylbenzenesulfonyl chloride
SMILESCF.Cc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C7H7ClO2S.CH3F/c1-6-2-4-7(5-3-6)11(8,9)10;1-2/h2-5H,1H3;1H3
InChIKeyJAPYJWIIFVTGHY-UHFFFAOYSA-N
XLogP2.51
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.68
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methylaniline;4-methylbenzenesulfonyl chloride
CID 175068196
1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
4-methyl-3-(4-methylphenyl)sulfonylbenzenesulfonyl chloride
CID 54521473
7-methylnaphthalene-2-sulfonyl chloride
CID 10824001
1-(difluoromethylsulfonyl)-4-methylbenzene;fluoromethane
CID 143485097
1-(4-methylphenyl)sulfonylpyrrole-3-sulfonyl chloride
CID 86232436
4-[[(4-methylbenzoyl)amino]methyl]benzenesulfonyl chloride
CID 98622583
1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 158182934
methanamine;bis(1-methyl-4-(4-methylphenyl)sulfonylbenzene)
CID 23341933
4-silylbenzenesulfonyl chloride
CID 174005817
(4-methylphenyl)sulfonyloxidanium
CID 5175018

Frequently Asked Questions

What is the IUPAC name of fluoromethane;4-methylbenzenesulfonyl chloride?
The IUPAC name of fluoromethane;4-methylbenzenesulfonyl chloride (CID 91127409) is fluoromethane;4-methylbenzenesulfonyl chloride.
What is the SMILES notation for fluoromethane;4-methylbenzenesulfonyl chloride?
The canonical SMILES for fluoromethane;4-methylbenzenesulfonyl chloride is CF.Cc1ccc(S(=O)(=O)Cl)cc1.
What is the InChIKey of fluoromethane;4-methylbenzenesulfonyl chloride?
The InChIKey is JAPYJWIIFVTGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClO2S.CH3F/c1-6-2-4-7(5-3-6)11(8,9)10;1-2/h2-5H,1H3;1H3.
What are the key properties of fluoromethane;4-methylbenzenesulfonyl chloride?
fluoromethane;4-methylbenzenesulfonyl chloride has a molecular weight of 224.68 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethane;4-methylbenzenesulfonyl chloride is sourced from PubChem (CID 91127409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).