6-amino-5-sulfamoyl-N-(3,4,5-trifluorophenyl)pyridine-3-carboxamide

C12H9F3N4O3S — CID 146301421

IUPAC6-amino-5-sulfamoyl-N-(3,4,5-trifluorophenyl)pyridine-3-carboxamide
SMILESNc1ncc(C(=O)Nc2cc(F)c(F)c(F)c2)cc1S(N)(=O)=O
InChIInChI=1S/C12H9F3N4O3S/c13-7-2-6(3-8(14)10(7)15)19-12(20)5-1-9(23(17,21)22)11(16)18-4-5/h1-4H,(H2,16,18)(H,19,20)(H2,17,21,22)
InChIKeyXWPPHURUYYMVJS-UHFFFAOYSA-N
MW346.29 g/mol
LogP0.98
Rot. Bonds3

About 6-amino-5-sulfamoyl-N-(3,4,5-trifluorophenyl)pyridine-3-carboxamide

6-amino-5-sulfamoyl-N-(3,4,5-trifluorophenyl)pyridine-3-carboxamide (PubChem CID 146301421) has the molecular formula C12H9F3N4O3S and a molecular weight of 346.29 g/mol. Its IUPAC name is 6-amino-5-sulfamoyl-N-(3,4,5-trifluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-5-sulfamoyl-N-(3,4,5-trifluorophenyl)pyridine-3-carboxamide
PubChem CID146301421
Molecular FormulaC12H9F3N4O3S
Molecular Weight346.29 g/mol
Exact Mass346.03
IUPAC Name6-amino-5-sulfamoyl-N-(3,4,5-trifluorophenyl)pyridine-3-carboxamide
SMILESNc1ncc(C(=O)Nc2cc(F)c(F)c(F)c2)cc1S(N)(=O)=O
InChIInChI=1S/C12H9F3N4O3S/c13-7-2-6(3-8(14)10(7)15)19-12(20)5-1-9(23(17,21)22)11(16)18-4-5/h1-4H,(H2,16,18)(H,19,20)(H2,17,21,22)
InChIKeyXWPPHURUYYMVJS-UHFFFAOYSA-N
XLogP0.98
TPSA128.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.29
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-sulfamoyl-N-(3,4,5-trifluorophenyl)pyridine-3-carboxamide?
The IUPAC name of 6-amino-5-sulfamoyl-N-(3,4,5-trifluorophenyl)pyridine-3-carboxamide (CID 146301421) is 6-amino-5-sulfamoyl-N-(3,4,5-trifluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-5-sulfamoyl-N-(3,4,5-trifluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-amino-5-sulfamoyl-N-(3,4,5-trifluorophenyl)pyridine-3-carboxamide is Nc1ncc(C(=O)Nc2cc(F)c(F)c(F)c2)cc1S(N)(=O)=O.
What is the InChIKey of 6-amino-5-sulfamoyl-N-(3,4,5-trifluorophenyl)pyridine-3-carboxamide?
The InChIKey is XWPPHURUYYMVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N4O3S/c13-7-2-6(3-8(14)10(7)15)19-12(20)5-1-9(23(17,21)22)11(16)18-4-5/h1-4H,(H2,16,18)(H,19,20)(H2,17,21,22).
What are the key properties of 6-amino-5-sulfamoyl-N-(3,4,5-trifluorophenyl)pyridine-3-carboxamide?
6-amino-5-sulfamoyl-N-(3,4,5-trifluorophenyl)pyridine-3-carboxamide has a molecular weight of 346.29 g/mol, XLogP of 0.98, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-sulfamoyl-N-(3,4,5-trifluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 146301421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).