3-(4-fluorophenoxy)-2-sulfamoylbenzamide

C13H11FN2O4S — CID 174799988

IUPAC3-(4-fluorophenoxy)-2-sulfamoylbenzamide
SMILESNC(=O)c1cccc(Oc2ccc(F)cc2)c1S(N)(=O)=O
InChIInChI=1S/C13H11FN2O4S/c14-8-4-6-9(7-5-8)20-11-3-1-2-10(13(15)17)12(11)21(16,18)19/h1-7H,(H2,15,17)(H2,16,18,19)
InChIKeyOLFZAZGFBXDJIU-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.36
Rot. Bonds4

About 3-(4-fluorophenoxy)-2-sulfamoylbenzamide

3-(4-fluorophenoxy)-2-sulfamoylbenzamide (PubChem CID 174799988) has the molecular formula C13H11FN2O4S and a molecular weight of 310.31 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)-2-sulfamoylbenzamide.

Molecular Properties

Compound Name3-(4-fluorophenoxy)-2-sulfamoylbenzamide
PubChem CID174799988
Molecular FormulaC13H11FN2O4S
Molecular Weight310.31 g/mol
Exact Mass310.04
IUPAC Name3-(4-fluorophenoxy)-2-sulfamoylbenzamide
SMILESNC(=O)c1cccc(Oc2ccc(F)cc2)c1S(N)(=O)=O
InChIInChI=1S/C13H11FN2O4S/c14-8-4-6-9(7-5-8)20-11-3-1-2-10(13(15)17)12(11)21(16,18)19/h1-7H,(H2,15,17)(H2,16,18,19)
InChIKeyOLFZAZGFBXDJIU-UHFFFAOYSA-N
XLogP1.36
TPSA112.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-3-phenoxybenzamide
CID 58104414
1-[2-(4-fluorophenoxy)phenyl]ethanone
CID 10633209
bicyclo[3.1.0]hexa-1(6),2,4-triene;5-fluoro-2-(4-hydroxyphenoxy)benzamide
CID 175582610
2-bromo-6-(4-fluorophenoxy)benzenecarbothioamide
CID 114882853
(2-carbamoylphenyl) 2,6-difluorobenzenesulfonate
CID 32937499
2-amino-3-(3,4-difluorophenoxy)benzamide
CID 113333318
2-chloro-4-[3-(4-fluorophenoxy)phenoxy]benzamide
CID 141362722
4-(4-fluorophenoxy)benzamide
CID 22142233
2-(3-amino-5-fluorophenoxy)benzamide
CID 80753129
3-phenyl-2-sulfamoylbenzamide;hydrochloride
CID 141093499
2-amino-3-(3-bromo-5-fluorophenoxy)benzamide
CID 113333380
3-amino-2-(2-bromo-5-fluorophenoxy)benzamide
CID 112579924

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)-2-sulfamoylbenzamide?
The IUPAC name of 3-(4-fluorophenoxy)-2-sulfamoylbenzamide (CID 174799988) is 3-(4-fluorophenoxy)-2-sulfamoylbenzamide.
What is the SMILES notation for 3-(4-fluorophenoxy)-2-sulfamoylbenzamide?
The canonical SMILES for 3-(4-fluorophenoxy)-2-sulfamoylbenzamide is NC(=O)c1cccc(Oc2ccc(F)cc2)c1S(N)(=O)=O.
What is the InChIKey of 3-(4-fluorophenoxy)-2-sulfamoylbenzamide?
The InChIKey is OLFZAZGFBXDJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O4S/c14-8-4-6-9(7-5-8)20-11-3-1-2-10(13(15)17)12(11)21(16,18)19/h1-7H,(H2,15,17)(H2,16,18,19).
What are the key properties of 3-(4-fluorophenoxy)-2-sulfamoylbenzamide?
3-(4-fluorophenoxy)-2-sulfamoylbenzamide has a molecular weight of 310.31 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)-2-sulfamoylbenzamide is sourced from PubChem (CID 174799988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).