3-[2-sulfamoyl-3-(tetrazolidin-5-yl)-4-pyridinyl]benzamide

C13H15N7O3S — CID 134823561

IUPAC3-[2-sulfamoyl-3-(tetrazolidin-5-yl)-4-pyridinyl]benzamide
SMILESNC(=O)c1cccc(-c2ccnc(S(N)(=O)=O)c2C2NNNN2)c1
InChIInChI=1S/C13H15N7O3S/c14-11(21)8-3-1-2-7(6-8)9-4-5-16-13(24(15,22)23)10(9)12-17-19-20-18-12/h1-6,12,17-20H,(H2,14,21)(H2,15,22,23)
InChIKeyPOSZENBSGKWHQH-UHFFFAOYSA-N
MW349.38 g/mol
LogP-1.39
Rot. Bonds4

About 3-[2-sulfamoyl-3-(tetrazolidin-5-yl)-4-pyridinyl]benzamide

3-[2-sulfamoyl-3-(tetrazolidin-5-yl)-4-pyridinyl]benzamide (PubChem CID 134823561) has the molecular formula C13H15N7O3S and a molecular weight of 349.38 g/mol. Its IUPAC name is 3-[2-sulfamoyl-3-(tetrazolidin-5-yl)-4-pyridinyl]benzamide.

Molecular Properties

Compound Name3-[2-sulfamoyl-3-(tetrazolidin-5-yl)-4-pyridinyl]benzamide
PubChem CID134823561
Molecular FormulaC13H15N7O3S
Molecular Weight349.38 g/mol
Exact Mass349.10
IUPAC Name3-[2-sulfamoyl-3-(tetrazolidin-5-yl)-4-pyridinyl]benzamide
SMILESNC(=O)c1cccc(-c2ccnc(S(N)(=O)=O)c2C2NNNN2)c1
InChIInChI=1S/C13H15N7O3S/c14-11(21)8-3-1-2-7(6-8)9-4-5-16-13(24(15,22)23)10(9)12-17-19-20-18-12/h1-6,12,17-20H,(H2,14,21)(H2,15,22,23)
InChIKeyPOSZENBSGKWHQH-UHFFFAOYSA-N
XLogP-1.39
TPSA164.26 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.38
LogP ≤ 5-1.39
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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Related Compounds

N'-(benzenesulfonyl)-3-pyridin-2-ylbenzohydrazide
CID 124132171
5-(3-Sulfamoyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl)picolinamide
CID 134823653
N-[(E)-pyridin-4-ylmethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 6907590
N'-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpyridine-4-carbohydrazide
CID 997786
N-[(E)-pyridin-3-ylmethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 6893251
N'-(benzenesulfonyl)-3-pyridin-3-ylbenzohydrazide
CID 135298789
4-(2-Sulfamoyl-3-(1H-tetrazol-5-yl)pyridin-4-yl)benzamide
CID 118256777
N-Cyclopropyl-4-(2-sulfamoyl-3-(1H-tetrazol-5-yl)pyridin-4-yl)benzamide
CID 118257239
4-(1-oxoisoindolin-5-yl)-3-(1H-tetrazol-5-yl)pyridine-2-sulfonamide
CID 118265338
4-(2-Sulfamoyl-3-(1H-tetrazol-5-yl)pyridin-4-yl)benzamide and 4-(2-Sulfamoyl-3-(1H-tetrazol-5-yl)pyridin-4-yl)benzoic acid
CID 134823555
4-(2-oxoindolin-5-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
CID 134823559
4-phenyl-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
CID 134823564

Frequently Asked Questions

What is the IUPAC name of 3-[2-sulfamoyl-3-(tetrazolidin-5-yl)-4-pyridinyl]benzamide?
The IUPAC name of 3-[2-sulfamoyl-3-(tetrazolidin-5-yl)-4-pyridinyl]benzamide (CID 134823561) is 3-[2-sulfamoyl-3-(tetrazolidin-5-yl)-4-pyridinyl]benzamide.
What is the SMILES notation for 3-[2-sulfamoyl-3-(tetrazolidin-5-yl)-4-pyridinyl]benzamide?
The canonical SMILES for 3-[2-sulfamoyl-3-(tetrazolidin-5-yl)-4-pyridinyl]benzamide is NC(=O)c1cccc(-c2ccnc(S(N)(=O)=O)c2C2NNNN2)c1.
What is the InChIKey of 3-[2-sulfamoyl-3-(tetrazolidin-5-yl)-4-pyridinyl]benzamide?
The InChIKey is POSZENBSGKWHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7O3S/c14-11(21)8-3-1-2-7(6-8)9-4-5-16-13(24(15,22)23)10(9)12-17-19-20-18-12/h1-6,12,17-20H,(H2,14,21)(H2,15,22,23).
What are the key properties of 3-[2-sulfamoyl-3-(tetrazolidin-5-yl)-4-pyridinyl]benzamide?
3-[2-sulfamoyl-3-(tetrazolidin-5-yl)-4-pyridinyl]benzamide has a molecular weight of 349.38 g/mol, XLogP of -1.39, 4 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-sulfamoyl-3-(tetrazolidin-5-yl)-4-pyridinyl]benzamide is sourced from PubChem (CID 134823561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).