2-(3-sulfamoylanilino)pyridine-3-carboxamide

C12H12N4O3S — CID 134158344

IUPAC2-(3-sulfamoylanilino)pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C12H12N4O3S/c13-11(17)10-5-2-6-15-12(10)16-8-3-1-4-9(7-8)20(14,18)19/h1-7H,(H2,13,17)(H,15,16)(H2,14,18,19)
InChIKeyXNAWWIZVRZNMGV-UHFFFAOYSA-N
MW292.32 g/mol
LogP0.57
Rot. Bonds4

About 2-(3-sulfamoylanilino)pyridine-3-carboxamide

2-(3-sulfamoylanilino)pyridine-3-carboxamide (PubChem CID 134158344) has the molecular formula C12H12N4O3S and a molecular weight of 292.32 g/mol. Its IUPAC name is 2-(3-sulfamoylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(3-sulfamoylanilino)pyridine-3-carboxamide
PubChem CID134158344
Molecular FormulaC12H12N4O3S
Molecular Weight292.32 g/mol
Exact Mass292.06
IUPAC Name2-(3-sulfamoylanilino)pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C12H12N4O3S/c13-11(17)10-5-2-6-15-12(10)16-8-3-1-4-9(7-8)20(14,18)19/h1-7H,(H2,13,17)(H,15,16)(H2,14,18,19)
InChIKeyXNAWWIZVRZNMGV-UHFFFAOYSA-N
XLogP0.57
TPSA128.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-sulfamoylanilino)pyridine-3-carboxamide?
The IUPAC name of 2-(3-sulfamoylanilino)pyridine-3-carboxamide (CID 134158344) is 2-(3-sulfamoylanilino)pyridine-3-carboxamide.
What is the SMILES notation for 2-(3-sulfamoylanilino)pyridine-3-carboxamide?
The canonical SMILES for 2-(3-sulfamoylanilino)pyridine-3-carboxamide is NC(=O)c1cccnc1Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 2-(3-sulfamoylanilino)pyridine-3-carboxamide?
The InChIKey is XNAWWIZVRZNMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3S/c13-11(17)10-5-2-6-15-12(10)16-8-3-1-4-9(7-8)20(14,18)19/h1-7H,(H2,13,17)(H,15,16)(H2,14,18,19).
What are the key properties of 2-(3-sulfamoylanilino)pyridine-3-carboxamide?
2-(3-sulfamoylanilino)pyridine-3-carboxamide has a molecular weight of 292.32 g/mol, XLogP of 0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-sulfamoylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 134158344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).