2,6-dichloro-4-methylbenzenesulfonyl chloride

C7H5Cl3O2S — CID 54400603

IUPAC2,6-dichloro-4-methylbenzenesulfonyl chloride
SMILESCc1cc(Cl)c(S(=O)(=O)Cl)c(Cl)c1
InChIInChI=1S/C7H5Cl3O2S/c1-4-2-5(8)7(6(9)3-4)13(10,11)12/h2-3H,1H3
InChIKeyVNDVBLUSKXZRLL-UHFFFAOYSA-N
MW259.54 g/mol
LogP3.23
Rot. Bonds1

About 2,6-dichloro-4-methylbenzenesulfonyl chloride

2,6-dichloro-4-methylbenzenesulfonyl chloride (PubChem CID 54400603) has the molecular formula C7H5Cl3O2S and a molecular weight of 259.54 g/mol. Its IUPAC name is 2,6-dichloro-4-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name2,6-dichloro-4-methylbenzenesulfonyl chloride
PubChem CID54400603
Molecular FormulaC7H5Cl3O2S
Molecular Weight259.54 g/mol
Exact Mass257.91
IUPAC Name2,6-dichloro-4-methylbenzenesulfonyl chloride
SMILESCc1cc(Cl)c(S(=O)(=O)Cl)c(Cl)c1
InChIInChI=1S/C7H5Cl3O2S/c1-4-2-5(8)7(6(9)3-4)13(10,11)12/h2-3H,1H3
InChIKeyVNDVBLUSKXZRLL-UHFFFAOYSA-N
XLogP3.23
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.54
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Chloro-2-methylbenzene-1-sulfonyl chloride
CID 41748
2,4-Dichloro-5-methylbenzene-1-sulphonyl chloride
CID 119914
2-Chloro-4-methylbenzene-1-sulfonyl chloride
CID 289081
(3-Chlorophenyl)methanesulfonyl chloride
CID 2757802
2-Chloro-p-toluenesulfochloride
CID 259744
2-Chloro-4-(difluoromethyl)benzene-1-sulfonyl chloride
CID 84710368
2-Chloro-6-methylbenzene-1-sulfonyl chloride
CID 15725370
2-Chloro-6-methylbenzene-1-sulfonamide
CID 19957968
2-Chloro-4-(trifluoromethyl)benzenesulfonyl chloride
CID 2736675
2,6-Dichloro-4-(trifluoromethyl)benzenesulfonyl chloride
CID 2736869
3',5'-Dichloro(1,1'-biphenyl)-4-sulfonyl chloride
CID 3771398
(3,5-dichlorophenyl)methanesulfonyl Chloride
CID 4993270

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-methylbenzenesulfonyl chloride?
The IUPAC name of 2,6-dichloro-4-methylbenzenesulfonyl chloride (CID 54400603) is 2,6-dichloro-4-methylbenzenesulfonyl chloride.
What is the SMILES notation for 2,6-dichloro-4-methylbenzenesulfonyl chloride?
The canonical SMILES for 2,6-dichloro-4-methylbenzenesulfonyl chloride is Cc1cc(Cl)c(S(=O)(=O)Cl)c(Cl)c1.
What is the InChIKey of 2,6-dichloro-4-methylbenzenesulfonyl chloride?
The InChIKey is VNDVBLUSKXZRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl3O2S/c1-4-2-5(8)7(6(9)3-4)13(10,11)12/h2-3H,1H3.
What are the key properties of 2,6-dichloro-4-methylbenzenesulfonyl chloride?
2,6-dichloro-4-methylbenzenesulfonyl chloride has a molecular weight of 259.54 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-methylbenzenesulfonyl chloride is sourced from PubChem (CID 54400603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).