2-chloro-3,6-dimethylbenzenesulfonyl chloride

C8H8Cl2O2S — CID 84799463

IUPAC2-chloro-3,6-dimethylbenzenesulfonyl chloride
SMILESCc1ccc(C)c(S(=O)(=O)Cl)c1Cl
InChIInChI=1S/C8H8Cl2O2S/c1-5-3-4-6(2)8(7(5)9)13(10,11)12/h3-4H,1-2H3
InChIKeyUEDRXZXNYFZEGP-UHFFFAOYSA-N
MW239.12 g/mol
LogP2.88
Rot. Bonds1

About 2-chloro-3,6-dimethylbenzenesulfonyl chloride

2-chloro-3,6-dimethylbenzenesulfonyl chloride (PubChem CID 84799463) has the molecular formula C8H8Cl2O2S and a molecular weight of 239.12 g/mol. Its IUPAC name is 2-chloro-3,6-dimethylbenzenesulfonyl chloride.

Molecular Properties

Compound Name2-chloro-3,6-dimethylbenzenesulfonyl chloride
PubChem CID84799463
Molecular FormulaC8H8Cl2O2S
Molecular Weight239.12 g/mol
Exact Mass237.96
IUPAC Name2-chloro-3,6-dimethylbenzenesulfonyl chloride
SMILESCc1ccc(C)c(S(=O)(=O)Cl)c1Cl
InChIInChI=1S/C8H8Cl2O2S/c1-5-3-4-6(2)8(7(5)9)13(10,11)12/h3-4H,1-2H3
InChIKeyUEDRXZXNYFZEGP-UHFFFAOYSA-N
XLogP2.88
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.12
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2,6-dimethylbenzenesulfonyl chloride
CID 84701107
2-chloro-3,6-dimethylbenzenesulfonic acid;hydrochloride
CID 174264022
6-chloro-2,3-dimethylbenzenesulfonyl chloride
CID 84701104
1,2-dichloro-3-(2,3-dichloro-6-methylphenyl)sulfonyl-4-methylbenzene
CID 154207405
2,6-dichloro-N,3-dimethylbenzenesulfonamide
CID 130157612
2-methylnaphthalene-1-sulfonyl chloride
CID 18388568
2-bromo-3-fluoro-6-methylbenzenesulfonyl chloride
CID 130929622
calcium bis(6-amino-2-chloro-3-methylbenzenesulfonate)
CID 101303901
(2-chloro-3,6-dimethylphenyl)methanesulfonyl chloride
CID 84804403
2-fluoro-6-hydroxy-3-methylbenzenesulfonyl chloride
CID 84789817
3-cyano-6-methyl-2-sulfanylbenzenesulfonyl chloride
CID 130778134
2,4-dichloro-6-methyl-3-(trifluoromethyl)benzenesulfonyl chloride
CID 87679057

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3,6-dimethylbenzenesulfonyl chloride?
The IUPAC name of 2-chloro-3,6-dimethylbenzenesulfonyl chloride (CID 84799463) is 2-chloro-3,6-dimethylbenzenesulfonyl chloride.
What is the SMILES notation for 2-chloro-3,6-dimethylbenzenesulfonyl chloride?
The canonical SMILES for 2-chloro-3,6-dimethylbenzenesulfonyl chloride is Cc1ccc(C)c(S(=O)(=O)Cl)c1Cl.
What is the InChIKey of 2-chloro-3,6-dimethylbenzenesulfonyl chloride?
The InChIKey is UEDRXZXNYFZEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2O2S/c1-5-3-4-6(2)8(7(5)9)13(10,11)12/h3-4H,1-2H3.
What are the key properties of 2-chloro-3,6-dimethylbenzenesulfonyl chloride?
2-chloro-3,6-dimethylbenzenesulfonyl chloride has a molecular weight of 239.12 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,6-dimethylbenzenesulfonyl chloride is sourced from PubChem (CID 84799463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).