(3-fluoro-4,5-dimethylphenyl)methanesulfonyl chloride

C9H10ClFO2S — CID 84798329

IUPAC(3-fluoro-4,5-dimethylphenyl)methanesulfonyl chloride
SMILESCc1cc(CS(=O)(=O)Cl)cc(F)c1C
InChIInChI=1S/C9H10ClFO2S/c1-6-3-8(5-14(10,12)13)4-9(11)7(6)2/h3-4H,5H2,1-2H3
InChIKeyNAYSRARNWKATJT-UHFFFAOYSA-N
MW236.69 g/mol
LogP2.51
Rot. Bonds2

About (3-fluoro-4,5-dimethylphenyl)methanesulfonyl chloride

(3-fluoro-4,5-dimethylphenyl)methanesulfonyl chloride (PubChem CID 84798329) has the molecular formula C9H10ClFO2S and a molecular weight of 236.69 g/mol. Its IUPAC name is (3-fluoro-4,5-dimethylphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(3-fluoro-4,5-dimethylphenyl)methanesulfonyl chloride
PubChem CID84798329
Molecular FormulaC9H10ClFO2S
Molecular Weight236.69 g/mol
Exact Mass236.01
IUPAC Name(3-fluoro-4,5-dimethylphenyl)methanesulfonyl chloride
SMILESCc1cc(CS(=O)(=O)Cl)cc(F)c1C
InChIInChI=1S/C9H10ClFO2S/c1-6-3-8(5-14(10,12)13)4-9(11)7(6)2/h3-4H,5H2,1-2H3
InChIKeyNAYSRARNWKATJT-UHFFFAOYSA-N
XLogP2.51
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.69
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluoro-3-methylphenyl)methanesulfonyl chloride
CID 62119949
(7-fluoro-3-methyl-1H-indol-5-yl)methanesulfonyl chloride
CID 117409064
(3,4-difluoro-5-methoxyphenyl)methanesulfonyl chloride
CID 84805414
(4-chloro-3-fluoro-5-methoxyphenyl)methanesulfonyl chloride
CID 84713466
[4-(dimethylamino)-3-fluorophenyl]methanesulfonyl chloride
CID 84707494
(4-hydroxy-3-methylphenyl)methanesulfonyl chloride
CID 117315045
3-(3-fluoro-4,5-dimethylphenyl)propanoic acid
CID 84773946
(4-methoxy-3-methylphenyl)methanesulfonyl chloride
CID 82239883
(3-fluoro-2-hydroxy-6-methylphenyl)methanesulfonyl chloride
CID 117349733
(5-chloro-2,3-dimethylphenyl)methanesulfonyl chloride
CID 84707894
(3-amino-4-methylphenyl)methanesulfonyl chloride
CID 117117261
(6-chloro-2-fluoro-3-methylphenyl)methanesulfonyl chloride
CID 84709005

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4,5-dimethylphenyl)methanesulfonyl chloride?
The IUPAC name of (3-fluoro-4,5-dimethylphenyl)methanesulfonyl chloride (CID 84798329) is (3-fluoro-4,5-dimethylphenyl)methanesulfonyl chloride.
What is the SMILES notation for (3-fluoro-4,5-dimethylphenyl)methanesulfonyl chloride?
The canonical SMILES for (3-fluoro-4,5-dimethylphenyl)methanesulfonyl chloride is Cc1cc(CS(=O)(=O)Cl)cc(F)c1C.
What is the InChIKey of (3-fluoro-4,5-dimethylphenyl)methanesulfonyl chloride?
The InChIKey is NAYSRARNWKATJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFO2S/c1-6-3-8(5-14(10,12)13)4-9(11)7(6)2/h3-4H,5H2,1-2H3.
What are the key properties of (3-fluoro-4,5-dimethylphenyl)methanesulfonyl chloride?
(3-fluoro-4,5-dimethylphenyl)methanesulfonyl chloride has a molecular weight of 236.69 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4,5-dimethylphenyl)methanesulfonyl chloride is sourced from PubChem (CID 84798329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).