2,4-Dichloro-3-methylbenzene-1-sulfonyl chloride

C7H5Cl3O2S — CID 15725374

IUPAC2,4-dichloro-3-methylbenzenesulfonyl chloride
SMILESCC1=C(C=CC(=C1Cl)S(=O)(=O)Cl)Cl
InChIInChI=1S/C7H5Cl3O2S/c1-4-5(8)2-3-6(7(4)9)13(10,11)12/h2-3H,1H3
InChIKeyXMKNKDQXFBQJDP-UHFFFAOYSA-N
MW259.50 g/mol
LogP3.60
Rot. Bonds1

About 2,4-Dichloro-3-methylbenzene-1-sulfonyl chloride

2,4-Dichloro-3-methylbenzene-1-sulfonyl chloride (PubChem CID 15725374) has the molecular formula C7H5Cl3O2S and a molecular weight of 259.50 g/mol. Its IUPAC name is 2,4-dichloro-3-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name2,4-Dichloro-3-methylbenzene-1-sulfonyl chloride
PubChem CID15725374
Molecular FormulaC7H5Cl3O2S
Molecular Weight259.50 g/mol
Exact Mass257.91
IUPAC Name2,4-dichloro-3-methylbenzenesulfonyl chloride
SMILESCC1=C(C=CC(=C1Cl)S(=O)(=O)Cl)Cl
InChIInChI=1S/C7H5Cl3O2S/c1-4-5(8)2-3-6(7(4)9)13(10,11)12/h2-3H,1H3
InChIKeyXMKNKDQXFBQJDP-UHFFFAOYSA-N
XLogP3.60
TPSA42.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity272

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.50
LogP ≤ 53.60
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-Chloro-2-methylbenzenesulfonyl chloride
CID 522734
2-Chloro-p-toluenesulfochloride
CID 259744
4-Chloro-3-methylbenzene-1-sulfonyl chloride
CID 221001
4-Chloro-3-(trifluoromethyl)benzenesulfonyl Chloride
CID 2780719
2,4-Dichloro-5-methylbenzenesulfonamide
CID 2799397
2,4-Dichloro-5-methylthiophenol
CID 119901
2-Chloro-5-methylbenzene-1-sulfonyl chloride
CID 15155333
2,6-Dichloro-3-methylbenzene-1-sulfonyl chloride
CID 16769922
4-Chloro-2-fluoro-5-methylbenzenesulfonyl chloride
CID 18525934

Frequently Asked Questions

What is the IUPAC name of 2,4-Dichloro-3-methylbenzene-1-sulfonyl chloride?
The IUPAC name of 2,4-Dichloro-3-methylbenzene-1-sulfonyl chloride (CID 15725374) is 2,4-dichloro-3-methylbenzenesulfonyl chloride.
What is the SMILES notation for 2,4-Dichloro-3-methylbenzene-1-sulfonyl chloride?
The canonical SMILES for 2,4-Dichloro-3-methylbenzene-1-sulfonyl chloride is CC1=C(C=CC(=C1Cl)S(=O)(=O)Cl)Cl.
What is the InChIKey of 2,4-Dichloro-3-methylbenzene-1-sulfonyl chloride?
The InChIKey is XMKNKDQXFBQJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl3O2S/c1-4-5(8)2-3-6(7(4)9)13(10,11)12/h2-3H,1H3.
What are the key properties of 2,4-Dichloro-3-methylbenzene-1-sulfonyl chloride?
2,4-Dichloro-3-methylbenzene-1-sulfonyl chloride has a molecular weight of 259.50 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-Dichloro-3-methylbenzene-1-sulfonyl chloride is sourced from PubChem (CID 15725374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).