3,5-dichloro-2,6-dimethylbenzenesulfonyl chloride

C8H7Cl3O2S — CID 84810118

IUPAC3,5-dichloro-2,6-dimethylbenzenesulfonyl chloride
SMILESCc1c(Cl)cc(Cl)c(C)c1S(=O)(=O)Cl
InChIInChI=1S/C8H7Cl3O2S/c1-4-6(9)3-7(10)5(2)8(4)14(11,12)13/h3H,1-2H3
InChIKeyOGQBVZMECZXSRP-UHFFFAOYSA-N
MW273.57 g/mol
LogP3.54
Rot. Bonds1

About 3,5-dichloro-2,6-dimethylbenzenesulfonyl chloride

3,5-dichloro-2,6-dimethylbenzenesulfonyl chloride (PubChem CID 84810118) has the molecular formula C8H7Cl3O2S and a molecular weight of 273.57 g/mol. Its IUPAC name is 3,5-dichloro-2,6-dimethylbenzenesulfonyl chloride.

Molecular Properties

Compound Name3,5-dichloro-2,6-dimethylbenzenesulfonyl chloride
PubChem CID84810118
Molecular FormulaC8H7Cl3O2S
Molecular Weight273.57 g/mol
Exact Mass271.92
IUPAC Name3,5-dichloro-2,6-dimethylbenzenesulfonyl chloride
SMILESCc1c(Cl)cc(Cl)c(C)c1S(=O)(=O)Cl
InChIInChI=1S/C8H7Cl3O2S/c1-4-6(9)3-7(10)5(2)8(4)14(11,12)13/h3H,1-2H3
InChIKeyOGQBVZMECZXSRP-UHFFFAOYSA-N
XLogP3.54
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.57
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2,6-dimethylbenzenesulfonyl chloride
CID 84701107
3,5-dichloro-2-hydroxy-6-methylbenzenesulfonic acid
CID 146601676
2,3,5-trichloro-4-methylbenzenesulfonyl chloride
CID 13491222
6-chloro-2,3-dimethylbenzenesulfonyl chloride
CID 84701104
lithium 2,5-dichloro-3,6-dimethylbenzenesulfonate
CID 162685742
1,5-dichloro-2,3,4-trimethylbenzene
CID 21488192
2,4,6-trimethyl-3-methylsulfonylbenzenesulfonyl chloride
CID 82276085
lithium;2,5-dichloro-3,6-dimethylbenzenesulfonic acid;hydride
CID 174049527
4-chloro-2-methylpyridine-3-sulfonyl chloride
CID 151415584
2,4-dibromo-6-methylbenzenesulfonyl chloride
CID 91678308
2-chloro-3,6-dimethylbenzenesulfonyl chloride
CID 84799463
4-tert-butyl-2,6-dimethylbenzenesulfonyl chloride
CID 3868506

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2,6-dimethylbenzenesulfonyl chloride?
The IUPAC name of 3,5-dichloro-2,6-dimethylbenzenesulfonyl chloride (CID 84810118) is 3,5-dichloro-2,6-dimethylbenzenesulfonyl chloride.
What is the SMILES notation for 3,5-dichloro-2,6-dimethylbenzenesulfonyl chloride?
The canonical SMILES for 3,5-dichloro-2,6-dimethylbenzenesulfonyl chloride is Cc1c(Cl)cc(Cl)c(C)c1S(=O)(=O)Cl.
What is the InChIKey of 3,5-dichloro-2,6-dimethylbenzenesulfonyl chloride?
The InChIKey is OGQBVZMECZXSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl3O2S/c1-4-6(9)3-7(10)5(2)8(4)14(11,12)13/h3H,1-2H3.
What are the key properties of 3,5-dichloro-2,6-dimethylbenzenesulfonyl chloride?
3,5-dichloro-2,6-dimethylbenzenesulfonyl chloride has a molecular weight of 273.57 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2,6-dimethylbenzenesulfonyl chloride is sourced from PubChem (CID 84810118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).