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

C13H9Cl2FO3S — CID 62103692

IUPAC5-chloro-2-[(2-fluorophenyl)methoxy]benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Cl)ccc1OCc1ccccc1F
InChIInChI=1S/C13H9Cl2FO3S/c14-10-5-6-12(13(7-10)20(15,17)18)19-8-9-3-1-2-4-11(9)16/h1-7H,8H2
InChIKeyYELHMQHYGPRGCM-UHFFFAOYSA-N
MW335.18 g/mol
LogP3.99
Rot. Bonds4

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

5-chloro-2-[(2-fluorophenyl)methoxy]benzenesulfonyl chloride (PubChem CID 62103692) has the molecular formula C13H9Cl2FO3S and a molecular weight of 335.18 g/mol. Its IUPAC name is 5-chloro-2-[(2-fluorophenyl)methoxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name5-chloro-2-[(2-fluorophenyl)methoxy]benzenesulfonyl chloride
PubChem CID62103692
Molecular FormulaC13H9Cl2FO3S
Molecular Weight335.18 g/mol
Exact Mass333.96
IUPAC Name5-chloro-2-[(2-fluorophenyl)methoxy]benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Cl)ccc1OCc1ccccc1F
InChIInChI=1S/C13H9Cl2FO3S/c14-10-5-6-12(13(7-10)20(15,17)18)19-8-9-3-1-2-4-11(9)16/h1-7H,8H2
InChIKeyYELHMQHYGPRGCM-UHFFFAOYSA-N
XLogP3.99
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.18
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-chloro-1-[(2-fluorophenyl)methoxy]benzene
CID 146003855
2-[(5-chloro-2-fluorophenyl)methoxy]-5-fluorobenzenesulfonamide
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5-fluoro-2-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride
CID 82910104
2-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorobenzenesulfonyl chloride
CID 103037941
5-chloro-2-(2-ethylsulfonylethoxy)benzenesulfonyl chloride
CID 62104796
5-chloro-2-(4-methoxybutoxy)benzenesulfonyl chloride
CID 104647311
5-chloro-2-nonoxybenzenesulfonyl chloride
CID 63495663
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126128028
1-[(2-bromophenyl)methoxy]-4-chloro-2-fluorobenzene
CID 146004192
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(4-fluorophenyl)methanamine
CID 4718772
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]cyclopentanamine;hydrochloride
CID 2950069
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CID 5201941

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2-fluorophenyl)methoxy]benzenesulfonyl chloride?
The IUPAC name of 5-chloro-2-[(2-fluorophenyl)methoxy]benzenesulfonyl chloride (CID 62103692) is 5-chloro-2-[(2-fluorophenyl)methoxy]benzenesulfonyl chloride.
What is the SMILES notation for 5-chloro-2-[(2-fluorophenyl)methoxy]benzenesulfonyl chloride?
The canonical SMILES for 5-chloro-2-[(2-fluorophenyl)methoxy]benzenesulfonyl chloride is O=S(=O)(Cl)c1cc(Cl)ccc1OCc1ccccc1F.
What is the InChIKey of 5-chloro-2-[(2-fluorophenyl)methoxy]benzenesulfonyl chloride?
The InChIKey is YELHMQHYGPRGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FO3S/c14-10-5-6-12(13(7-10)20(15,17)18)19-8-9-3-1-2-4-11(9)16/h1-7H,8H2.
What are the key properties of 5-chloro-2-[(2-fluorophenyl)methoxy]benzenesulfonyl chloride?
5-chloro-2-[(2-fluorophenyl)methoxy]benzenesulfonyl chloride has a molecular weight of 335.18 g/mol, XLogP of 3.99, 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-fluorophenyl)methoxy]benzenesulfonyl chloride is sourced from PubChem (CID 62103692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).