3-chloro-4-[(3-fluorophenyl)methoxy]benzenesulfonyl chloride

C13H9Cl2FO3S — CID 43108388

IUPAC3-chloro-4-[(3-fluorophenyl)methoxy]benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(OCc2cccc(F)c2)c(Cl)c1
InChIInChI=1S/C13H9Cl2FO3S/c14-12-7-11(20(15,17)18)4-5-13(12)19-8-9-2-1-3-10(16)6-9/h1-7H,8H2
InChIKeyBESIQFGQSVITSI-UHFFFAOYSA-N
MW335.18 g/mol
LogP3.99
Rot. Bonds4

About 3-chloro-4-[(3-fluorophenyl)methoxy]benzenesulfonyl chloride

3-chloro-4-[(3-fluorophenyl)methoxy]benzenesulfonyl chloride (PubChem CID 43108388) has the molecular formula C13H9Cl2FO3S and a molecular weight of 335.18 g/mol. Its IUPAC name is 3-chloro-4-[(3-fluorophenyl)methoxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name3-chloro-4-[(3-fluorophenyl)methoxy]benzenesulfonyl chloride
PubChem CID43108388
Molecular FormulaC13H9Cl2FO3S
Molecular Weight335.18 g/mol
Exact Mass333.96
IUPAC Name3-chloro-4-[(3-fluorophenyl)methoxy]benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(OCc2cccc(F)c2)c(Cl)c1
InChIInChI=1S/C13H9Cl2FO3S/c14-12-7-11(20(15,17)18)4-5-13(12)19-8-9-2-1-3-10(16)6-9/h1-7H,8H2
InChIKeyBESIQFGQSVITSI-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

3,5-difluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonyl chloride
CID 81264847
2,5-dichloro-4-[(3-fluorophenyl)methoxy]benzenesulfonamide
CID 43342560
3-fluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonamide
CID 43342382
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]acetamide
CID 33064316
2-chloro-4-fluoro-1-phenylmethoxybenzene
CID 58086731
1,4-dichloro-2-[(3-fluorophenyl)methoxy]benzene
CID 71651487
5-chloro-2-fluoro-4-[(3-fluorophenyl)methoxy]aniline
CID 146470006
2-chloro-4-fluoro-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 25235984
4-chloro-1-[(3-fluorophenyl)methoxy]-2-nitrobenzene
CID 52891645
4-chloro-N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 3875368
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-methoxyacetamide
CID 33064342
N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-ethylaniline
CID 126126042

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(3-fluorophenyl)methoxy]benzenesulfonyl chloride?
The IUPAC name of 3-chloro-4-[(3-fluorophenyl)methoxy]benzenesulfonyl chloride (CID 43108388) is 3-chloro-4-[(3-fluorophenyl)methoxy]benzenesulfonyl chloride.
What is the SMILES notation for 3-chloro-4-[(3-fluorophenyl)methoxy]benzenesulfonyl chloride?
The canonical SMILES for 3-chloro-4-[(3-fluorophenyl)methoxy]benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(OCc2cccc(F)c2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[(3-fluorophenyl)methoxy]benzenesulfonyl chloride?
The InChIKey is BESIQFGQSVITSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FO3S/c14-12-7-11(20(15,17)18)4-5-13(12)19-8-9-2-1-3-10(16)6-9/h1-7H,8H2.
What are the key properties of 3-chloro-4-[(3-fluorophenyl)methoxy]benzenesulfonyl chloride?
3-chloro-4-[(3-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 3-chloro-4-[(3-fluorophenyl)methoxy]benzenesulfonyl chloride is sourced from PubChem (CID 43108388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).