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

C16H15N7O3S — CID 118257239

IUPACN-cyclopropyl-4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide
SMILESNS(=O)(=O)c1nccc(-c2ccc(C(=O)NC3CC3)cc2)c1-c1nn[nH]n1
InChIInChI=1S/C16H15N7O3S/c17-27(25,26)16-13(14-20-22-23-21-14)12(7-8-18-16)9-1-3-10(4-2-9)15(24)19-11-5-6-11/h1-4,7-8,11H,5-6H2,(H,19,24)(H2,17,25,26)(H,20,21,22,23)
InChIKeyQWDAJOZABCMSHF-UHFFFAOYSA-N
MW385.41 g/mol
LogP0.47
Rot. Bonds5

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

N-cyclopropyl-4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide (PubChem CID 118257239) has the molecular formula C16H15N7O3S and a molecular weight of 385.41 g/mol. Its IUPAC name is N-cyclopropyl-4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide
PubChem CID118257239
Molecular FormulaC16H15N7O3S
Molecular Weight385.41 g/mol
Exact Mass385.10
IUPAC NameN-cyclopropyl-4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide
SMILESNS(=O)(=O)c1nccc(-c2ccc(C(=O)NC3CC3)cc2)c1-c1nn[nH]n1
InChIInChI=1S/C16H15N7O3S/c17-27(25,26)16-13(14-20-22-23-21-14)12(7-8-18-16)9-1-3-10(4-2-9)15(24)19-11-5-6-11/h1-4,7-8,11H,5-6H2,(H,19,24)(H2,17,25,26)(H,20,21,22,23)
InChIKeyQWDAJOZABCMSHF-UHFFFAOYSA-N
XLogP0.47
TPSA156.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2-Sulfamoyl-3-(1H-tetrazol-5-yl)pyridin-4-yl)benzamide
CID 118256777
4-(2-Sulfamoyl-3-(1H-tetrazol-5-yl)pyridin-4-yl)-N-(tetrahydro-2H-pyran-4-yl)benzamide
CID 118257170
4-(1-oxoisoindolin-5-yl)-3-(1H-tetrazol-5-yl)pyridine-2-sulfonamide
CID 118265338
3-(2-sulfamoyl-3-(2H-tetrazol-5-yl)pyridin-4-yl)benzamide
CID 134823561
N-(cyclopropylmethyl)-4-(phenylsulfamoyl)-N-[[5-[2-(2H-tetrazol-5-yl)ethyl]-2-pyridinyl]methyl]benzamide
CID 178312020
N-[(Pyridin-3-yl)methyl]-4-(2H-tetrazol-5-yl)benzamide
CID 23541030
4-(2-oxo-1,3-dihydroindol-5-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
CID 118266590
3-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide
CID 118266593
N-[4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]acetamide
CID 118266678
4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide
CID 122694146
5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2,3-dihydroisoindol-1-one
CID 122694151
N-cyclopropyl-4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide
CID 122694157

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide (CID 118257239) is N-cyclopropyl-4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide is NS(=O)(=O)c1nccc(-c2ccc(C(=O)NC3CC3)cc2)c1-c1nn[nH]n1.
What is the InChIKey of N-cyclopropyl-4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide?
The InChIKey is QWDAJOZABCMSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7O3S/c17-27(25,26)16-13(14-20-22-23-21-14)12(7-8-18-16)9-1-3-10(4-2-9)15(24)19-11-5-6-11/h1-4,7-8,11H,5-6H2,(H,19,24)(H2,17,25,26)(H,20,21,22,23).
What are the key properties of N-cyclopropyl-4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide?
N-cyclopropyl-4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide has a molecular weight of 385.41 g/mol, XLogP of 0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide is sourced from PubChem (CID 118257239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).