3,5-difluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonyl chloride

C13H8ClF3O3S — CID 81264847

IUPAC3,5-difluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(F)c(OCc2cccc(F)c2)c(F)c1
InChIInChI=1S/C13H8ClF3O3S/c14-21(18,19)10-5-11(16)13(12(17)6-10)20-7-8-2-1-3-9(15)4-8/h1-6H,7H2
InChIKeyZCELDFCNFSQLMQ-UHFFFAOYSA-N
MW336.72 g/mol
LogP3.61
Rot. Bonds4

About 3,5-difluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonyl chloride

3,5-difluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonyl chloride (PubChem CID 81264847) has the molecular formula C13H8ClF3O3S and a molecular weight of 336.72 g/mol. Its IUPAC name is 3,5-difluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name3,5-difluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonyl chloride
PubChem CID81264847
Molecular FormulaC13H8ClF3O3S
Molecular Weight336.72 g/mol
Exact Mass335.98
IUPAC Name3,5-difluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(F)c(OCc2cccc(F)c2)c(F)c1
InChIInChI=1S/C13H8ClF3O3S/c14-21(18,19)10-5-11(16)13(12(17)6-10)20-7-8-2-1-3-9(15)4-8/h1-6H,7H2
InChIKeyZCELDFCNFSQLMQ-UHFFFAOYSA-N
XLogP3.61
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.72
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-difluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonamide
CID 81264877
3-chloro-4-[(3-fluorophenyl)methoxy]benzenesulfonyl chloride
CID 43108388
4-[(2-bromophenyl)methoxy]-3,5-difluorobenzenesulfonyl chloride
CID 81264837
5-bromo-2-[(3-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride
CID 63216968
3-fluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonamide
CID 43342382
4-[(3-fluorophenyl)methoxy]-3,5-dimethylbenzenesulfonamide
CID 43342485
3,5-dichloro-4-[(4-fluorophenyl)methoxy]benzenesulfonyl chloride
CID 60800740
N-[[3,5-difluoro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 79882208
3-fluoro-2-[(3-fluorophenyl)methoxy]benzaldehyde
CID 112611552
4-[(5-bromo-2-pyridinyl)methoxy]-3,5-difluorobenzenesulfonyl chloride
CID 104796604
3-[(2,4,6-trifluorophenoxy)methyl]benzaldehyde
CID 122476157
[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]methanol
CID 893858

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonyl chloride?
The IUPAC name of 3,5-difluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonyl chloride (CID 81264847) is 3,5-difluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonyl chloride.
What is the SMILES notation for 3,5-difluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonyl chloride?
The canonical SMILES for 3,5-difluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonyl chloride is O=S(=O)(Cl)c1cc(F)c(OCc2cccc(F)c2)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonyl chloride?
The InChIKey is ZCELDFCNFSQLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3O3S/c14-21(18,19)10-5-11(16)13(12(17)6-10)20-7-8-2-1-3-9(15)4-8/h1-6H,7H2.
What are the key properties of 3,5-difluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonyl chloride?
3,5-difluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonyl chloride has a molecular weight of 336.72 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonyl chloride is sourced from PubChem (CID 81264847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).