5-sulfamoyl-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid

C13H10F3N3O4S — CID 134158285

IUPAC5-sulfamoyl-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
SMILESNS(=O)(=O)c1cc(C(=O)O)cnc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H10F3N3O4S/c14-13(15,16)8-2-1-3-9(5-8)19-11-10(24(17,22)23)4-7(6-18-11)12(20)21/h1-6H,(H,18,19)(H,20,21)(H2,17,22,23)
InChIKeyWPPYTPLJZMJUOO-UHFFFAOYSA-N
MW361.30 g/mol
LogP2.19
Rot. Bonds4

About 5-sulfamoyl-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid

5-sulfamoyl-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid (PubChem CID 134158285) has the molecular formula C13H10F3N3O4S and a molecular weight of 361.30 g/mol. Its IUPAC name is 5-sulfamoyl-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-sulfamoyl-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
PubChem CID134158285
Molecular FormulaC13H10F3N3O4S
Molecular Weight361.30 g/mol
Exact Mass361.03
IUPAC Name5-sulfamoyl-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
SMILESNS(=O)(=O)c1cc(C(=O)O)cnc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H10F3N3O4S/c14-13(15,16)8-2-1-3-9(5-8)19-11-10(24(17,22)23)4-7(6-18-11)12(20)21/h1-6H,(H,18,19)(H,20,21)(H2,17,22,23)
InChIKeyWPPYTPLJZMJUOO-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 5-sulfamoyl-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid?
The IUPAC name of 5-sulfamoyl-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid (CID 134158285) is 5-sulfamoyl-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-sulfamoyl-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-sulfamoyl-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid is NS(=O)(=O)c1cc(C(=O)O)cnc1Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-sulfamoyl-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid?
The InChIKey is WPPYTPLJZMJUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O4S/c14-13(15,16)8-2-1-3-9(5-8)19-11-10(24(17,22)23)4-7(6-18-11)12(20)21/h1-6H,(H,18,19)(H,20,21)(H2,17,22,23).
What are the key properties of 5-sulfamoyl-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid?
5-sulfamoyl-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic 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 5-sulfamoyl-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid is sourced from PubChem (CID 134158285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).