3-fluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide

C13H11F2NO2S — CID 25046873

IUPAC3-fluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C13H11F2NO2S/c14-11-4-1-3-10(7-11)9-16-19(17,18)13-6-2-5-12(15)8-13/h1-8,16H,9H2
InChIKeyYOQCWSGFDYAJFR-UHFFFAOYSA-N
MW283.30 g/mol
LogP2.44
Rot. Bonds4

About 3-fluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide

3-fluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide (PubChem CID 25046873) has the molecular formula C13H11F2NO2S and a molecular weight of 283.30 g/mol. Its IUPAC name is 3-fluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
PubChem CID25046873
Molecular FormulaC13H11F2NO2S
Molecular Weight283.30 g/mol
Exact Mass283.05
IUPAC Name3-fluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C13H11F2NO2S/c14-11-4-1-3-10(7-11)9-16-19(17,18)13-6-2-5-12(15)8-13/h1-8,16H,9H2
InChIKeyYOQCWSGFDYAJFR-UHFFFAOYSA-N
XLogP2.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(bromomethyl)phenyl]methyl]-3-fluorobenzenesulfonamide
CID 114297989
3-fluoro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide
CID 18097170
N-[(3,5-dichlorophenyl)methyl]-3-fluorobenzenesulfonamide
CID 3858076
3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 30170522
N-[(3-fluorophenyl)methyl]-4-(methylamino)benzenesulfonamide
CID 43332122
3-amino-4-chloro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 28970051
3-amino-4-ethyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 43258739
4-(2-chloroethyl)-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 43662811
4-bromo-N-[(3-fluorophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 98000551
N-[(3-fluorophenyl)methyl]-3-[[(6-methyl-2-pyridinyl)amino]methyl]benzenesulfonamide
CID 133482259
1-amino-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]cyclopropane-1-carboxamide
CID 119731455
N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]cyclobutanecarboxamide
CID 47067287

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide (CID 25046873) is 3-fluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide is O=S(=O)(NCc1cccc(F)c1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide?
The InChIKey is YOQCWSGFDYAJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO2S/c14-11-4-1-3-10(7-11)9-16-19(17,18)13-6-2-5-12(15)8-13/h1-8,16H,9H2.
What are the key properties of 3-fluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide?
3-fluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide has a molecular weight of 283.30 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 25046873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).