(2-chloro-3,6-dimethylphenyl)methanesulfonyl chloride

C9H10Cl2O2S — CID 84804403

IUPAC(2-chloro-3,6-dimethylphenyl)methanesulfonyl chloride
SMILESCc1ccc(C)c(CS(=O)(=O)Cl)c1Cl
InChIInChI=1S/C9H10Cl2O2S/c1-6-3-4-7(2)9(10)8(6)5-14(11,12)13/h3-4H,5H2,1-2H3
InChIKeyQNYMWRFXYYPZOP-UHFFFAOYSA-N
MW253.15 g/mol
LogP3.03
Rot. Bonds2

About (2-chloro-3,6-dimethylphenyl)methanesulfonyl chloride

(2-chloro-3,6-dimethylphenyl)methanesulfonyl chloride (PubChem CID 84804403) has the molecular formula C9H10Cl2O2S and a molecular weight of 253.15 g/mol. Its IUPAC name is (2-chloro-3,6-dimethylphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(2-chloro-3,6-dimethylphenyl)methanesulfonyl chloride
PubChem CID84804403
Molecular FormulaC9H10Cl2O2S
Molecular Weight253.15 g/mol
Exact Mass251.98
IUPAC Name(2-chloro-3,6-dimethylphenyl)methanesulfonyl chloride
SMILESCc1ccc(C)c(CS(=O)(=O)Cl)c1Cl
InChIInChI=1S/C9H10Cl2O2S/c1-6-3-4-7(2)9(10)8(6)5-14(11,12)13/h3-4H,5H2,1-2H3
InChIKeyQNYMWRFXYYPZOP-UHFFFAOYSA-N
XLogP3.03
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.15
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(6-chloro-2-fluoro-3-methylphenyl)methanesulfonyl chloride
CID 84709005
(3-fluoro-2-hydroxy-6-methylphenyl)methanesulfonyl chloride
CID 117349733
(2-chloro-6-hydroxy-5-methoxy-3-methylphenyl)methanesulfonyl chloride
CID 117458959
(3-chloro-2-methoxy-4,6-dimethylphenyl)methanesulfonyl chloride
CID 117454939
(2-methoxy-6-methylphenyl)methanesulfonyl chloride
CID 84698165
(2-hydroxy-6-methoxy-3-methylphenyl)methanesulfonyl chloride
CID 117380100
CID 157318838
CID 157318838
2-chloro-3,6-dimethylbenzenesulfonyl chloride
CID 84799463
(3-amino-4-methylphenyl)methanesulfonyl chloride
CID 117117261
(5-chloro-2,3-dimethylphenyl)methanesulfonyl chloride
CID 84707894
3-(2-chloro-3,6-dimethylphenyl)propan-1-amine
CID 84774719
5-(chlorosulfonylmethyl)-2-methylbenzoic acid
CID 117374912

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3,6-dimethylphenyl)methanesulfonyl chloride?
The IUPAC name of (2-chloro-3,6-dimethylphenyl)methanesulfonyl chloride (CID 84804403) is (2-chloro-3,6-dimethylphenyl)methanesulfonyl chloride.
What is the SMILES notation for (2-chloro-3,6-dimethylphenyl)methanesulfonyl chloride?
The canonical SMILES for (2-chloro-3,6-dimethylphenyl)methanesulfonyl chloride is Cc1ccc(C)c(CS(=O)(=O)Cl)c1Cl.
What is the InChIKey of (2-chloro-3,6-dimethylphenyl)methanesulfonyl chloride?
The InChIKey is QNYMWRFXYYPZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2O2S/c1-6-3-4-7(2)9(10)8(6)5-14(11,12)13/h3-4H,5H2,1-2H3.
What are the key properties of (2-chloro-3,6-dimethylphenyl)methanesulfonyl chloride?
(2-chloro-3,6-dimethylphenyl)methanesulfonyl chloride has a molecular weight of 253.15 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3,6-dimethylphenyl)methanesulfonyl chloride is sourced from PubChem (CID 84804403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).