(4-fluoro-3-methylphenyl)methanesulfonyl chloride

C8H8ClFO2S — CID 62119949

IUPAC(4-fluoro-3-methylphenyl)methanesulfonyl chloride
SMILESCc1cc(CS(=O)(=O)Cl)ccc1F
InChIInChI=1S/C8H8ClFO2S/c1-6-4-7(2-3-8(6)10)5-13(9,11)12/h2-4H,5H2,1H3
InChIKeyGHFDPRAAKDNRKO-UHFFFAOYSA-N
MW222.67 g/mol
LogP2.20
Rot. Bonds2

About (4-fluoro-3-methylphenyl)methanesulfonyl chloride

(4-fluoro-3-methylphenyl)methanesulfonyl chloride (PubChem CID 62119949) has the molecular formula C8H8ClFO2S and a molecular weight of 222.67 g/mol. Its IUPAC name is (4-fluoro-3-methylphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(4-fluoro-3-methylphenyl)methanesulfonyl chloride
PubChem CID62119949
Molecular FormulaC8H8ClFO2S
Molecular Weight222.67 g/mol
Exact Mass221.99
IUPAC Name(4-fluoro-3-methylphenyl)methanesulfonyl chloride
SMILESCc1cc(CS(=O)(=O)Cl)ccc1F
InChIInChI=1S/C8H8ClFO2S/c1-6-4-7(2-3-8(6)10)5-13(9,11)12/h2-4H,5H2,1H3
InChIKeyGHFDPRAAKDNRKO-UHFFFAOYSA-N
XLogP2.20
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.67
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-fluoro-4,5-dimethylphenyl)methanesulfonyl chloride
CID 84798329
(4-hydroxy-3-methylphenyl)methanesulfonyl chloride
CID 117315045
(4-methoxy-3-methylphenyl)methanesulfonyl chloride
CID 82239883
(3-amino-4-methylphenyl)methanesulfonyl chloride
CID 117117261
[4-(dimethylamino)-3-fluorophenyl]methanesulfonyl chloride
CID 84707494
(3-fluoro-2-hydroxy-6-methylphenyl)methanesulfonyl chloride
CID 117349733
(3,4-diethylphenyl)methanesulfonyl chloride
CID 117369333
4-[(4-fluoro-3-methylphenyl)methyl]-1H-pyrrole-2-sulfonyl chloride
CID 82375202
5-(chlorosulfonylmethyl)-2-methylbenzoic acid
CID 117374912
4-chloro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
CID 18131225
[3-(chlorosulfonylmethyl)phenyl]methanesulfonyl chloride
CID 18676560
3-[(4-fluoro-3-methylphenyl)methyl]cyclobutan-1-amine
CID 116926413

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methylphenyl)methanesulfonyl chloride?
The IUPAC name of (4-fluoro-3-methylphenyl)methanesulfonyl chloride (CID 62119949) is (4-fluoro-3-methylphenyl)methanesulfonyl chloride.
What is the SMILES notation for (4-fluoro-3-methylphenyl)methanesulfonyl chloride?
The canonical SMILES for (4-fluoro-3-methylphenyl)methanesulfonyl chloride is Cc1cc(CS(=O)(=O)Cl)ccc1F.
What is the InChIKey of (4-fluoro-3-methylphenyl)methanesulfonyl chloride?
The InChIKey is GHFDPRAAKDNRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFO2S/c1-6-4-7(2-3-8(6)10)5-13(9,11)12/h2-4H,5H2,1H3.
What are the key properties of (4-fluoro-3-methylphenyl)methanesulfonyl chloride?
(4-fluoro-3-methylphenyl)methanesulfonyl chloride has a molecular weight of 222.67 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methylphenyl)methanesulfonyl chloride is sourced from PubChem (CID 62119949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).