2,4-dichloro-6-methoxybenzenesulfonyl chloride

C7H5Cl3O3S — CID 18981628

IUPAC2,4-dichloro-6-methoxybenzenesulfonyl chloride
SMILESCOc1cc(Cl)cc(Cl)c1S(=O)(=O)Cl
InChIInChI=1S/C7H5Cl3O3S/c1-13-6-3-4(8)2-5(9)7(6)14(10,11)12/h2-3H,1H3
InChIKeyFYYLTAGXKDAZOS-UHFFFAOYSA-N
MW275.54 g/mol
LogP2.93
Rot. Bonds2

About 2,4-dichloro-6-methoxybenzenesulfonyl chloride

2,4-dichloro-6-methoxybenzenesulfonyl chloride (PubChem CID 18981628) has the molecular formula C7H5Cl3O3S and a molecular weight of 275.54 g/mol. Its IUPAC name is 2,4-dichloro-6-methoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name2,4-dichloro-6-methoxybenzenesulfonyl chloride
PubChem CID18981628
Molecular FormulaC7H5Cl3O3S
Molecular Weight275.54 g/mol
Exact Mass273.90
IUPAC Name2,4-dichloro-6-methoxybenzenesulfonyl chloride
SMILESCOc1cc(Cl)cc(Cl)c1S(=O)(=O)Cl
InChIInChI=1S/C7H5Cl3O3S/c1-13-6-3-4(8)2-5(9)7(6)14(10,11)12/h2-3H,1H3
InChIKeyFYYLTAGXKDAZOS-UHFFFAOYSA-N
XLogP2.93
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.54
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-5-methoxypyridine-4-sulfonyl chloride
CID 55279486
4-chloro-2-methoxybenzenesulfonyl chloride
CID 15725376
1,5-dichloro-3-methoxy-2-methylbenzene
CID 23462582
2-fluoro-4-hydroxy-6-methoxybenzenesulfonyl chloride
CID 84800596
2,6-dimethoxybenzenesulfonyl chloride;ethane
CID 155744790
2,4,6-trichloro-N-methoxy-N-methylbenzenesulfonamide
CID 61059338
2,4-dichloro-6-methoxybenzamide
CID 118588801
6-fluoro-2,3-dimethoxybenzenesulfonyl chloride
CID 84708314
tert-butyl 2-[2-[(2,4-dichloro-6-methoxyphenyl)sulfonylmethylamino]ethoxy]acetate
CID 90959113
2-amino-4,6-dichloro-N-(2-methoxyphenyl)benzenesulfonamide
CID 43256321
(4-chloro-2-methoxyphenyl)methanesulfonyl chloride
CID 84708491
4-chloro-2-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride
CID 130074025

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-methoxybenzenesulfonyl chloride?
The IUPAC name of 2,4-dichloro-6-methoxybenzenesulfonyl chloride (CID 18981628) is 2,4-dichloro-6-methoxybenzenesulfonyl chloride.
What is the SMILES notation for 2,4-dichloro-6-methoxybenzenesulfonyl chloride?
The canonical SMILES for 2,4-dichloro-6-methoxybenzenesulfonyl chloride is COc1cc(Cl)cc(Cl)c1S(=O)(=O)Cl.
What is the InChIKey of 2,4-dichloro-6-methoxybenzenesulfonyl chloride?
The InChIKey is FYYLTAGXKDAZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl3O3S/c1-13-6-3-4(8)2-5(9)7(6)14(10,11)12/h2-3H,1H3.
What are the key properties of 2,4-dichloro-6-methoxybenzenesulfonyl chloride?
2,4-dichloro-6-methoxybenzenesulfonyl chloride has a molecular weight of 275.54 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-methoxybenzenesulfonyl chloride is sourced from PubChem (CID 18981628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).