(2-methylphenyl)methanesulfonyl chloride

C8H9ClO2S — CID 2760661

IUPAC(2-methylphenyl)methanesulfonyl chloride
SMILESCc1ccccc1CS(=O)(=O)Cl
InChIInChI=1S/C8H9ClO2S/c1-7-4-2-3-5-8(7)6-12(9,10)11/h2-5H,6H2,1H3
InChIKeyNDMREUGSHNSYBI-UHFFFAOYSA-N
MW204.68 g/mol
LogP2.06
Rot. Bonds2

About (2-methylphenyl)methanesulfonyl chloride

(2-methylphenyl)methanesulfonyl chloride (PubChem CID 2760661) has the molecular formula C8H9ClO2S and a molecular weight of 204.68 g/mol. Its IUPAC name is (2-methylphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(2-methylphenyl)methanesulfonyl chloride
PubChem CID2760661
Molecular FormulaC8H9ClO2S
Molecular Weight204.68 g/mol
Exact Mass204.00
IUPAC Name(2-methylphenyl)methanesulfonyl chloride
SMILESCc1ccccc1CS(=O)(=O)Cl
InChIInChI=1S/C8H9ClO2S/c1-7-4-2-3-5-8(7)6-12(9,10)11/h2-5H,6H2,1H3
InChIKeyNDMREUGSHNSYBI-UHFFFAOYSA-N
XLogP2.06
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.68
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Phenylmethylsulfonyl Fluoride
CID 4784
Benzylsulfonic acid
CID 7532
Benzenemethanesulfonamide
CID 78318
Phenylmethanesulfonyl chloride
CID 74740
Phenylmethanesulfinic acid
CID 3311411
alpha-(Methylsulphonyl)toluene
CID 76562
Potassium Xylenesulfonate
CID 23689308
Benzeneethanesulfonamide
CID 204808
Sodium benzylsulfonate
CID 23668604
((1E)-2-(Methylsulfonyl)ethenyl)benzene
CID 5369327
3-Phenylpropane-1-sulfonamide
CID 12574638
2-(4-Methylphenyl)ethene-1-sulfonyl fluoride
CID 121553281

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)methanesulfonyl chloride?
The IUPAC name of (2-methylphenyl)methanesulfonyl chloride (CID 2760661) is (2-methylphenyl)methanesulfonyl chloride.
What is the SMILES notation for (2-methylphenyl)methanesulfonyl chloride?
The canonical SMILES for (2-methylphenyl)methanesulfonyl chloride is Cc1ccccc1CS(=O)(=O)Cl.
What is the InChIKey of (2-methylphenyl)methanesulfonyl chloride?
The InChIKey is NDMREUGSHNSYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO2S/c1-7-4-2-3-5-8(7)6-12(9,10)11/h2-5H,6H2,1H3.
What are the key properties of (2-methylphenyl)methanesulfonyl chloride?
(2-methylphenyl)methanesulfonyl chloride has a molecular weight of 204.68 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)methanesulfonyl chloride is sourced from PubChem (CID 2760661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).