1-oxido-N-(4-sulfamoylphenyl)pyridin-1-ium-4-carboxamide

C12H11N3O4S — CID 16961374

IUPAC1-oxido-N-(4-sulfamoylphenyl)pyridin-1-ium-4-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2cc[n+]([O-])cc2)cc1
InChIInChI=1S/C12H11N3O4S/c13-20(18,19)11-3-1-10(2-4-11)14-12(16)9-5-7-15(17)8-6-9/h1-8H,(H,14,16)(H2,13,18,19)
InChIKeyTUZLOTSADWGEEY-UHFFFAOYSA-N
MW293.30 g/mol
LogP0.22
Rot. Bonds3

About 1-oxido-N-(4-sulfamoylphenyl)pyridin-1-ium-4-carboxamide

1-oxido-N-(4-sulfamoylphenyl)pyridin-1-ium-4-carboxamide (PubChem CID 16961374) has the molecular formula C12H11N3O4S and a molecular weight of 293.30 g/mol. Its IUPAC name is 1-oxido-N-(4-sulfamoylphenyl)pyridin-1-ium-4-carboxamide.

Molecular Properties

Compound Name1-oxido-N-(4-sulfamoylphenyl)pyridin-1-ium-4-carboxamide
PubChem CID16961374
Molecular FormulaC12H11N3O4S
Molecular Weight293.30 g/mol
Exact Mass293.05
IUPAC Name1-oxido-N-(4-sulfamoylphenyl)pyridin-1-ium-4-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2cc[n+]([O-])cc2)cc1
InChIInChI=1S/C12H11N3O4S/c13-20(18,19)11-3-1-10(2-4-11)14-12(16)9-5-7-15(17)8-6-9/h1-8H,(H,14,16)(H2,13,18,19)
InChIKeyTUZLOTSADWGEEY-UHFFFAOYSA-N
XLogP0.22
TPSA116.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4-acetamido-N-(4-sulfamoylphenyl)benzamide
CID 766030
3,5-ditert-butyl-N-(4-sulfamoylphenyl)benzamide
CID 2322744
4-pyrrol-1-yl-N-(4-sulfamoylphenyl)benzamide
CID 26718752
N-(3,5-difluorophenyl)-4-sulfamoylbenzamide
CID 27055023
N-[4-(difluoromethoxy)phenyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 2390885
N-naphthalen-2-yl-4-sulfamoylbenzamide
CID 24638963
propyl 4-[(1-oxidopyridin-1-ium-4-carbonyl)amino]benzoate
CID 78780070
N-(4-piperidin-1-ylphenyl)-4-sulfamoylbenzamide
CID 26654878
3-methylsulfonyl-N-(4-sulfamoylphenyl)benzamide
CID 7565696
1-carbamoyl-3-(4-sulfamoylphenyl)urea
CID 86191002
N-(4-sulfamoylphenyl)-1,3-benzoxazole-5-carboxamide
CID 108795105
methyl 6-[(4-sulfamoylphenyl)carbamoyl]naphthalene-2-carboxylate
CID 59762981

Frequently Asked Questions

What is the IUPAC name of 1-oxido-N-(4-sulfamoylphenyl)pyridin-1-ium-4-carboxamide?
The IUPAC name of 1-oxido-N-(4-sulfamoylphenyl)pyridin-1-ium-4-carboxamide (CID 16961374) is 1-oxido-N-(4-sulfamoylphenyl)pyridin-1-ium-4-carboxamide.
What is the SMILES notation for 1-oxido-N-(4-sulfamoylphenyl)pyridin-1-ium-4-carboxamide?
The canonical SMILES for 1-oxido-N-(4-sulfamoylphenyl)pyridin-1-ium-4-carboxamide is NS(=O)(=O)c1ccc(NC(=O)c2cc[n+]([O-])cc2)cc1.
What is the InChIKey of 1-oxido-N-(4-sulfamoylphenyl)pyridin-1-ium-4-carboxamide?
The InChIKey is TUZLOTSADWGEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4S/c13-20(18,19)11-3-1-10(2-4-11)14-12(16)9-5-7-15(17)8-6-9/h1-8H,(H,14,16)(H2,13,18,19).
What are the key properties of 1-oxido-N-(4-sulfamoylphenyl)pyridin-1-ium-4-carboxamide?
1-oxido-N-(4-sulfamoylphenyl)pyridin-1-ium-4-carboxamide has a molecular weight of 293.30 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxido-N-(4-sulfamoylphenyl)pyridin-1-ium-4-carboxamide is sourced from PubChem (CID 16961374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).