N-(oxan-4-yl)-4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide

C18H19N7O4S — CID 118257170

IUPACN-(oxan-4-yl)-4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide
SMILESNS(=O)(=O)c1nccc(-c2ccc(C(=O)NC3CCOCC3)cc2)c1-c1nn[nH]n1
InChIInChI=1S/C18H19N7O4S/c19-30(27,28)18-15(16-22-24-25-23-16)14(5-8-20-18)11-1-3-12(4-2-11)17(26)21-13-6-9-29-10-7-13/h1-5,8,13H,6-7,9-10H2,(H,21,26)(H2,19,27,28)(H,22,23,24,25)
InChIKeyKIFHIBJIWUDZCO-UHFFFAOYSA-N
MW429.46 g/mol
LogP0.48
Rot. Bonds5

About N-(oxan-4-yl)-4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide

N-(oxan-4-yl)-4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide (PubChem CID 118257170) has the molecular formula C18H19N7O4S and a molecular weight of 429.46 g/mol. Its IUPAC name is N-(oxan-4-yl)-4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide
PubChem CID118257170
Molecular FormulaC18H19N7O4S
Molecular Weight429.46 g/mol
Exact Mass429.12
IUPAC NameN-(oxan-4-yl)-4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide
SMILESNS(=O)(=O)c1nccc(-c2ccc(C(=O)NC3CCOCC3)cc2)c1-c1nn[nH]n1
InChIInChI=1S/C18H19N7O4S/c19-30(27,28)18-15(16-22-24-25-23-16)14(5-8-20-18)11-1-3-12(4-2-11)17(26)21-13-6-9-29-10-7-13/h1-5,8,13H,6-7,9-10H2,(H,21,26)(H2,19,27,28)(H,22,23,24,25)
InChIKeyKIFHIBJIWUDZCO-UHFFFAOYSA-N
XLogP0.48
TPSA165.84 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

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-(4-(Tetrahydro-2H-pyran-4-yl)phenyl)-3-(1H-tetrazol-5-yl)pyridine-2-sulfonamide
CID 118257383
4-(1-oxoisoindolin-5-yl)-3-(1H-tetrazol-5-yl)pyridine-2-sulfonamide
CID 118265338
3-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide
CID 118266593
4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide
CID 122694146
N-cyclopropyl-4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide
CID 122694157
4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-N-(oxan-4-yl)benzamide
CID 122694176
4-(1-oxo-2,3-dihydroisoindol-5-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfinamide
CID 144893655
N-cyclopropyl-4-[2-sulfinamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide
CID 144893749

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide?
The IUPAC name of N-(oxan-4-yl)-4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide (CID 118257170) is N-(oxan-4-yl)-4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide.
What is the SMILES notation for N-(oxan-4-yl)-4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide?
The canonical SMILES for N-(oxan-4-yl)-4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide is NS(=O)(=O)c1nccc(-c2ccc(C(=O)NC3CCOCC3)cc2)c1-c1nn[nH]n1.
What is the InChIKey of N-(oxan-4-yl)-4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide?
The InChIKey is KIFHIBJIWUDZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O4S/c19-30(27,28)18-15(16-22-24-25-23-16)14(5-8-20-18)11-1-3-12(4-2-11)17(26)21-13-6-9-29-10-7-13/h1-5,8,13H,6-7,9-10H2,(H,21,26)(H2,19,27,28)(H,22,23,24,25).
What are the key properties of N-(oxan-4-yl)-4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide?
N-(oxan-4-yl)-4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide has a molecular weight of 429.46 g/mol, XLogP of 0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide is sourced from PubChem (CID 118257170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).