3-[(3-sulfamoyl-2-pyridinyl)amino]-5-(trifluoromethyl)benzoic acid

C13H10F3N3O4S — CID 134158277

IUPAC3-[(3-sulfamoyl-2-pyridinyl)amino]-5-(trifluoromethyl)benzoic acid
SMILESNS(=O)(=O)c1cccnc1Nc1cc(C(=O)O)cc(C(F)(F)F)c1
InChIInChI=1S/C13H10F3N3O4S/c14-13(15,16)8-4-7(12(20)21)5-9(6-8)19-11-10(24(17,22)23)2-1-3-18-11/h1-6H,(H,18,19)(H,20,21)(H2,17,22,23)
InChIKeyXFSIAMBQFQYHDM-UHFFFAOYSA-N
MW361.30 g/mol
LogP2.19
Rot. Bonds4

About 3-[(3-sulfamoyl-2-pyridinyl)amino]-5-(trifluoromethyl)benzoic acid

3-[(3-sulfamoyl-2-pyridinyl)amino]-5-(trifluoromethyl)benzoic acid (PubChem CID 134158277) has the molecular formula C13H10F3N3O4S and a molecular weight of 361.30 g/mol. Its IUPAC name is 3-[(3-sulfamoyl-2-pyridinyl)amino]-5-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name3-[(3-sulfamoyl-2-pyridinyl)amino]-5-(trifluoromethyl)benzoic acid
PubChem CID134158277
Molecular FormulaC13H10F3N3O4S
Molecular Weight361.30 g/mol
Exact Mass361.03
IUPAC Name3-[(3-sulfamoyl-2-pyridinyl)amino]-5-(trifluoromethyl)benzoic acid
SMILESNS(=O)(=O)c1cccnc1Nc1cc(C(=O)O)cc(C(F)(F)F)c1
InChIInChI=1S/C13H10F3N3O4S/c14-13(15,16)8-4-7(12(20)21)5-9(6-8)19-11-10(24(17,22)23)2-1-3-18-11/h1-6H,(H,18,19)(H,20,21)(H2,17,22,23)
InChIKeyXFSIAMBQFQYHDM-UHFFFAOYSA-N
XLogP2.19
TPSA122.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.30
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-sulfamoyl-2-pyridinyl)amino]-5-(trifluoromethyl)benzoic acid?
The IUPAC name of 3-[(3-sulfamoyl-2-pyridinyl)amino]-5-(trifluoromethyl)benzoic acid (CID 134158277) is 3-[(3-sulfamoyl-2-pyridinyl)amino]-5-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 3-[(3-sulfamoyl-2-pyridinyl)amino]-5-(trifluoromethyl)benzoic acid?
The canonical SMILES for 3-[(3-sulfamoyl-2-pyridinyl)amino]-5-(trifluoromethyl)benzoic acid is NS(=O)(=O)c1cccnc1Nc1cc(C(=O)O)cc(C(F)(F)F)c1.
What is the InChIKey of 3-[(3-sulfamoyl-2-pyridinyl)amino]-5-(trifluoromethyl)benzoic acid?
The InChIKey is XFSIAMBQFQYHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O4S/c14-13(15,16)8-4-7(12(20)21)5-9(6-8)19-11-10(24(17,22)23)2-1-3-18-11/h1-6H,(H,18,19)(H,20,21)(H2,17,22,23).
What are the key properties of 3-[(3-sulfamoyl-2-pyridinyl)amino]-5-(trifluoromethyl)benzoic acid?
3-[(3-sulfamoyl-2-pyridinyl)amino]-5-(trifluoromethyl)benzoic acid has a molecular weight of 361.30 g/mol, XLogP of 2.19, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-sulfamoyl-2-pyridinyl)amino]-5-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 134158277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).