5-chloro-3-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonyl chloride

C14H11Cl3O4S — CID 56991953

IUPAC5-chloro-3-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonyl chloride
SMILESCOc1ccc(Cl)cc1-c1cc(Cl)cc(S(=O)(=O)Cl)c1OC
InChIInChI=1S/C14H11Cl3O4S/c1-20-12-4-3-8(15)5-10(12)11-6-9(16)7-13(14(11)21-2)22(17,18)19/h3-7H,1-2H3
InChIKeyOYMDDWKYNXDFDZ-UHFFFAOYSA-N
MW381.66 g/mol
LogP4.61
Rot. Bonds4

About 5-chloro-3-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonyl chloride

5-chloro-3-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonyl chloride (PubChem CID 56991953) has the molecular formula C14H11Cl3O4S and a molecular weight of 381.66 g/mol. Its IUPAC name is 5-chloro-3-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name5-chloro-3-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonyl chloride
PubChem CID56991953
Molecular FormulaC14H11Cl3O4S
Molecular Weight381.66 g/mol
Exact Mass379.94
IUPAC Name5-chloro-3-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonyl chloride
SMILESCOc1ccc(Cl)cc1-c1cc(Cl)cc(S(=O)(=O)Cl)c1OC
InChIInChI=1S/C14H11Cl3O4S/c1-20-12-4-3-8(15)5-10(12)11-6-9(16)7-13(14(11)21-2)22(17,18)19/h3-7H,1-2H3
InChIKeyOYMDDWKYNXDFDZ-UHFFFAOYSA-N
XLogP4.61
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.66
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonyl chloride?
The IUPAC name of 5-chloro-3-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonyl chloride (CID 56991953) is 5-chloro-3-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonyl chloride.
What is the SMILES notation for 5-chloro-3-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonyl chloride?
The canonical SMILES for 5-chloro-3-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonyl chloride is COc1ccc(Cl)cc1-c1cc(Cl)cc(S(=O)(=O)Cl)c1OC.
What is the InChIKey of 5-chloro-3-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonyl chloride?
The InChIKey is OYMDDWKYNXDFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3O4S/c1-20-12-4-3-8(15)5-10(12)11-6-9(16)7-13(14(11)21-2)22(17,18)19/h3-7H,1-2H3.
What are the key properties of 5-chloro-3-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonyl chloride?
5-chloro-3-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonyl chloride has a molecular weight of 381.66 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonyl chloride is sourced from PubChem (CID 56991953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).