3-fluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonamide

C13H11F2NO3S — CID 43342382

IUPAC3-fluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCc2cccc(F)c2)c(F)c1
InChIInChI=1S/C13H11F2NO3S/c14-10-3-1-2-9(6-10)8-19-13-5-4-11(7-12(13)15)20(16,17)18/h1-7H,8H2,(H2,16,17,18)
InChIKeyGOMMBUQBSJVGRG-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.19
Rot. Bonds4

About 3-fluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonamide

3-fluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonamide (PubChem CID 43342382) has the molecular formula C13H11F2NO3S and a molecular weight of 299.30 g/mol. Its IUPAC name is 3-fluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonamide
PubChem CID43342382
Molecular FormulaC13H11F2NO3S
Molecular Weight299.30 g/mol
Exact Mass299.04
IUPAC Name3-fluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCc2cccc(F)c2)c(F)c1
InChIInChI=1S/C13H11F2NO3S/c14-10-3-1-2-9(6-10)8-19-13-5-4-11(7-12(13)15)20(16,17)18/h1-7H,8H2,(H2,16,17,18)
InChIKeyGOMMBUQBSJVGRG-UHFFFAOYSA-N
XLogP2.19
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-difluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonamide
CID 81264877
4-[(4-bromophenyl)methoxy]-3-fluorobenzenesulfonamide
CID 43342384
4-[(3-fluorophenyl)methoxy]-3,5-dimethylbenzenesulfonamide
CID 43342485
4-ethoxy-3-fluorobenzenesulfonamide
CID 43164444
3-chloro-4-[(3-fluorophenyl)methoxy]benzenesulfonyl chloride
CID 43108388
[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]methylidenehydrazine
CID 168529494
4-(chloromethyl)-2-fluoro-1-[(3-fluorophenyl)methoxy]benzene
CID 107691116
2,5-dichloro-4-[(3-fluorophenyl)methoxy]benzenesulfonamide
CID 43342560
3-fluoro-4-[(6-methoxy-2-pyridinyl)methoxy]benzenesulfonamide
CID 82913722
3-bromo-4-[(3,4-difluorophenyl)methoxy]benzenesulfonamide
CID 82916878
3-fluoro-4-(3-fluoropropoxy)benzenesulfonamide
CID 81113749
3,5-difluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonyl chloride
CID 81264847

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonamide?
The IUPAC name of 3-fluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonamide (CID 43342382) is 3-fluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonamide is NS(=O)(=O)c1ccc(OCc2cccc(F)c2)c(F)c1.
What is the InChIKey of 3-fluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonamide?
The InChIKey is GOMMBUQBSJVGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO3S/c14-10-3-1-2-9(6-10)8-19-13-5-4-11(7-12(13)15)20(16,17)18/h1-7H,8H2,(H2,16,17,18).
What are the key properties of 3-fluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonamide?
3-fluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonamide has a molecular weight of 299.30 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonamide is sourced from PubChem (CID 43342382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).