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

C13H8Cl2F2O3S — CID 62197010

IUPAC5-chloro-2-[(2,4-difluorophenyl)methoxy]benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Cl)ccc1OCc1ccc(F)cc1F
InChIInChI=1S/C13H8Cl2F2O3S/c14-9-2-4-12(13(5-9)21(15,18)19)20-7-8-1-3-10(16)6-11(8)17/h1-6H,7H2
InChIKeyVIOWQIKWOPHQEY-UHFFFAOYSA-N
MW353.17 g/mol
LogP4.12
Rot. Bonds4

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

5-chloro-2-[(2,4-difluorophenyl)methoxy]benzenesulfonyl chloride (PubChem CID 62197010) has the molecular formula C13H8Cl2F2O3S and a molecular weight of 353.17 g/mol. Its IUPAC name is 5-chloro-2-[(2,4-difluorophenyl)methoxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name5-chloro-2-[(2,4-difluorophenyl)methoxy]benzenesulfonyl chloride
PubChem CID62197010
Molecular FormulaC13H8Cl2F2O3S
Molecular Weight353.17 g/mol
Exact Mass351.95
IUPAC Name5-chloro-2-[(2,4-difluorophenyl)methoxy]benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Cl)ccc1OCc1ccc(F)cc1F
InChIInChI=1S/C13H8Cl2F2O3S/c14-9-2-4-12(13(5-9)21(15,18)19)20-7-8-1-3-10(16)6-11(8)17/h1-6H,7H2
InChIKeyVIOWQIKWOPHQEY-UHFFFAOYSA-N
XLogP4.12
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.17
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 21962459
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CID 62104418
5-Chloro-2-(oxolan-3-ylmethoxy)benzene-1-sulfonyl chloride
CID 62104984
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-(4-Chlorophenoxy)-3,5-difluorobenzene-1-sulfonylchloride
CID 11724737
5-Chloro-2-(2,2,2-trifluoroethoxy)benzene-1-sulfonyl chloride
CID 14011121
5-Chloro-2-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 14011123
4-[(3,5-Difluorobenzyl)oxy]benzenesulfonyl chloride
CID 17942480

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2,4-difluorophenyl)methoxy]benzenesulfonyl chloride?
The IUPAC name of 5-chloro-2-[(2,4-difluorophenyl)methoxy]benzenesulfonyl chloride (CID 62197010) is 5-chloro-2-[(2,4-difluorophenyl)methoxy]benzenesulfonyl chloride.
What is the SMILES notation for 5-chloro-2-[(2,4-difluorophenyl)methoxy]benzenesulfonyl chloride?
The canonical SMILES for 5-chloro-2-[(2,4-difluorophenyl)methoxy]benzenesulfonyl chloride is O=S(=O)(Cl)c1cc(Cl)ccc1OCc1ccc(F)cc1F.
What is the InChIKey of 5-chloro-2-[(2,4-difluorophenyl)methoxy]benzenesulfonyl chloride?
The InChIKey is VIOWQIKWOPHQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F2O3S/c14-9-2-4-12(13(5-9)21(15,18)19)20-7-8-1-3-10(16)6-11(8)17/h1-6H,7H2.
What are the key properties of 5-chloro-2-[(2,4-difluorophenyl)methoxy]benzenesulfonyl chloride?
5-chloro-2-[(2,4-difluorophenyl)methoxy]benzenesulfonyl chloride has a molecular weight of 353.17 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(2,4-difluorophenyl)methoxy]benzenesulfonyl chloride is sourced from PubChem (CID 62197010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).