4-[(4-fluorophenyl)methoxy]benzenesulfonamide

C13H12FNO3S — CID 43342474

IUPAC4-[(4-fluorophenyl)methoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C13H12FNO3S/c14-11-3-1-10(2-4-11)9-18-12-5-7-13(8-6-12)19(15,16)17/h1-8H,9H2,(H2,15,16,17)
InChIKeyNPOOGORKMVRNHZ-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.05
Rot. Bonds4

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

4-[(4-fluorophenyl)methoxy]benzenesulfonamide (PubChem CID 43342474) has the molecular formula C13H12FNO3S and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methoxy]benzenesulfonamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methoxy]benzenesulfonamide
PubChem CID43342474
Molecular FormulaC13H12FNO3S
Molecular Weight281.31 g/mol
Exact Mass281.05
IUPAC Name4-[(4-fluorophenyl)methoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C13H12FNO3S/c14-11-3-1-10(2-4-11)9-18-12-5-7-13(8-6-12)19(15,16)17/h1-8H,9H2,(H2,15,16,17)
InChIKeyNPOOGORKMVRNHZ-UHFFFAOYSA-N
XLogP2.05
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-fluoro-4-[[4-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]phenyl]methoxy]benzene
CID 129203352
4-[(2,6-difluorophenyl)methoxy]benzenesulfonamide
CID 103981147
4-fluorobenzenesulfonamide;hydroiodide
CID 175106101
(E)-2-cyano-3-[4-[(4-fluorophenyl)methoxy]phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide
CID 1070982
4-[2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride
CID 17292932
1-(chloromethyl)-4-[(4-fluorophenyl)methoxy]benzene
CID 22280023
1-fluoro-4-(phenoxymethyl)benzene
CID 957495
3-[4-[(4-fluorophenyl)methoxy]phenyl]propanamide
CID 91686884
4-[2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride
CID 17292545
4-(2,2-difluoroethoxy)benzenesulfonamide
CID 60923217
2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 28562504
4-[2-[(4-fluorophenoxy)methyl]-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide
CID 18701723

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methoxy]benzenesulfonamide?
The IUPAC name of 4-[(4-fluorophenyl)methoxy]benzenesulfonamide (CID 43342474) is 4-[(4-fluorophenyl)methoxy]benzenesulfonamide.
What is the SMILES notation for 4-[(4-fluorophenyl)methoxy]benzenesulfonamide?
The canonical SMILES for 4-[(4-fluorophenyl)methoxy]benzenesulfonamide is NS(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methoxy]benzenesulfonamide?
The InChIKey is NPOOGORKMVRNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO3S/c14-11-3-1-10(2-4-11)9-18-12-5-7-13(8-6-12)19(15,16)17/h1-8H,9H2,(H2,15,16,17).
What are the key properties of 4-[(4-fluorophenyl)methoxy]benzenesulfonamide?
4-[(4-fluorophenyl)methoxy]benzenesulfonamide has a molecular weight of 281.31 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methoxy]benzenesulfonamide is sourced from PubChem (CID 43342474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).