2-fluoro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate

C14H8F4NO4S- — CID 5203374

IUPAC2-fluoro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate
SMILESO=C([O-])c1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)ccc1F
InChIInChI=1S/C14H9F4NO4S/c15-12-5-4-10(7-11(12)13(20)21)24(22,23)19-9-3-1-2-8(6-9)14(16,17)18/h1-7,19H,(H,20,21)/p-1
InChIKeyABNXSWIGCAMFKY-UHFFFAOYSA-M
MW362.28 g/mol
LogP2.01
Rot. Bonds4

About 2-fluoro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate

2-fluoro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate (PubChem CID 5203374) has the molecular formula C14H8F4NO4S- and a molecular weight of 362.28 g/mol. Its IUPAC name is 2-fluoro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate.

Molecular Properties

Compound Name2-fluoro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate
PubChem CID5203374
Molecular FormulaC14H8F4NO4S-
Molecular Weight362.28 g/mol
Exact Mass362.01
IUPAC Name2-fluoro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate
SMILESO=C([O-])c1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)ccc1F
InChIInChI=1S/C14H9F4NO4S/c15-12-5-4-10(7-11(12)13(20)21)24(22,23)19-9-3-1-2-8(6-9)14(16,17)18/h1-7,19H,(H,20,21)/p-1
InChIKeyABNXSWIGCAMFKY-UHFFFAOYSA-M
XLogP2.01
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.28
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoate
CID 3458292
3-[(4-fluorophenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 17424474
N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 1069109
3-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanoate
CID 9235026
4-fluoro-N-[2-fluoro-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 18893459
1-N-methyl-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-disulfonamide
CID 49186446
N-(3-acetylphenyl)-2-chloro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 30880179
2-chloro-N-ethoxy-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 46536488
2-fluoro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 5088355
3,5-ditert-butyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 4546210
N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 4875220
4-chloro-3-(thiomorpholine-4-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 55868940

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate?
The IUPAC name of 2-fluoro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate (CID 5203374) is 2-fluoro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate.
What is the SMILES notation for 2-fluoro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate?
The canonical SMILES for 2-fluoro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate is O=C([O-])c1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)ccc1F.
What is the InChIKey of 2-fluoro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate?
The InChIKey is ABNXSWIGCAMFKY-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H9F4NO4S/c15-12-5-4-10(7-11(12)13(20)21)24(22,23)19-9-3-1-2-8(6-9)14(16,17)18/h1-7,19H,(H,20,21)/p-1.
What are the key properties of 2-fluoro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate?
2-fluoro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate has a molecular weight of 362.28 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate is sourced from PubChem (CID 5203374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).