5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]benzenesulfonyl chloride

C13H8Cl3FO3S — CID 62105351

IUPAC5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Cl)ccc1OCc1ccc(F)cc1Cl
InChIInChI=1S/C13H8Cl3FO3S/c14-9-2-4-12(13(5-9)21(16,18)19)20-7-8-1-3-10(17)6-11(8)15/h1-6H,7H2
InChIKeyQVYXQNSTIXCEOT-UHFFFAOYSA-N
MW369.63 g/mol
LogP4.64
Rot. Bonds4

About 5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]benzenesulfonyl chloride

5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]benzenesulfonyl chloride (PubChem CID 62105351) has the molecular formula C13H8Cl3FO3S and a molecular weight of 369.63 g/mol. Its IUPAC name is 5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]benzenesulfonyl chloride
PubChem CID62105351
Molecular FormulaC13H8Cl3FO3S
Molecular Weight369.63 g/mol
Exact Mass367.92
IUPAC Name5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Cl)ccc1OCc1ccc(F)cc1Cl
InChIInChI=1S/C13H8Cl3FO3S/c14-9-2-4-12(13(5-9)21(16,18)19)20-7-8-1-3-10(17)6-11(8)15/h1-6H,7H2
InChIKeyQVYXQNSTIXCEOT-UHFFFAOYSA-N
XLogP4.64
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.63
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Chloro-2-methoxy-4-methylbenzenesulfonyl chloride
CID 17389862
2-(Benzyloxy)benzene-1-sulfonyl chloride
CID 21962459
5-Chloro-2-ethoxybenzene-1-sulfonyl chloride
CID 24226010
5-Chloro-2-(cyclobutylmethoxy)benzene-1-sulfonyl chloride
CID 65459396
8-Chloro-3-fluoro-2-phenyl-1,4lambda6-benzoxathiine 4,4-dioxide
CID 162410470
6-Chloro-3,7-difluoro-2-phenyl-1,4lambda6-benzoxathiine 4,4-dioxide
CID 162410471
2-(Benzyloxy)-3,5-dichlorobenzenesulfinic acid
CID 361223
4-Chloro-3,5-dimethylphenyl 5-fluoro-2-methoxybenzenesulfonate
CID 1818620
5-Chloro-2-(2,2,2-trifluoroethoxy)benzene-1-sulfonyl chloride
CID 14011121
1-Chloro-4-[(2-chlorophenyl)methoxy]-2-fluorobenzene
CID 82727407
2-(4-Chlorophenoxy)-3,5-difluorobenzenesulfonyl chloride
CID 87293128
6-chloro-3-(3-fluorophenyl)sulfonyl-2H-chromene
CID 135272124

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]benzenesulfonyl chloride?
The IUPAC name of 5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]benzenesulfonyl chloride (CID 62105351) is 5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]benzenesulfonyl chloride.
What is the SMILES notation for 5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]benzenesulfonyl chloride?
The canonical SMILES for 5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]benzenesulfonyl chloride is O=S(=O)(Cl)c1cc(Cl)ccc1OCc1ccc(F)cc1Cl.
What is the InChIKey of 5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]benzenesulfonyl chloride?
The InChIKey is QVYXQNSTIXCEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3FO3S/c14-9-2-4-12(13(5-9)21(16,18)19)20-7-8-1-3-10(17)6-11(8)15/h1-6H,7H2.
What are the key properties of 5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]benzenesulfonyl chloride?
5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]benzenesulfonyl chloride has a molecular weight of 369.63 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]benzenesulfonyl chloride is sourced from PubChem (CID 62105351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).