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

C17H16N6O3S — CID 122694157

IUPACN-cyclopropyl-4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide
SMILESCS(=O)(=O)c1nccc(-c2ccc(C(=O)NC3CC3)cc2)c1-c1nn[nH]n1
InChIInChI=1S/C17H16N6O3S/c1-27(25,26)17-14(15-20-22-23-21-15)13(8-9-18-17)10-2-4-11(5-3-10)16(24)19-12-6-7-12/h2-5,8-9,12H,6-7H2,1H3,(H,19,24)(H,20,21,22,23)
InChIKeyISEQLRHHIDOZJB-UHFFFAOYSA-N
MW384.42 g/mol
LogP1.22
Rot. Bonds5

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

N-cyclopropyl-4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide (PubChem CID 122694157) has the molecular formula C17H16N6O3S and a molecular weight of 384.42 g/mol. Its IUPAC name is N-cyclopropyl-4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide
PubChem CID122694157
Molecular FormulaC17H16N6O3S
Molecular Weight384.42 g/mol
Exact Mass384.10
IUPAC NameN-cyclopropyl-4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide
SMILESCS(=O)(=O)c1nccc(-c2ccc(C(=O)NC3CC3)cc2)c1-c1nn[nH]n1
InChIInChI=1S/C17H16N6O3S/c1-27(25,26)17-14(15-20-22-23-21-15)13(8-9-18-17)10-2-4-11(5-3-10)16(24)19-12-6-7-12/h2-5,8-9,12H,6-7H2,1H3,(H,19,24)(H,20,21,22,23)
InChIKeyISEQLRHHIDOZJB-UHFFFAOYSA-N
XLogP1.22
TPSA130.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2-dodecyltetrazol-5-yl)-phenylmethyl]-2-methylsulfanylpyridine-4-carboxamide
CID 44331141
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
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
1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-[4-(6-methylsulfonyl-3-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 159248935
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
5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2,3-dihydroisoindol-1-one
CID 122694151
4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-N-(oxan-4-yl)benzamide
CID 122694176
3-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide
CID 122694189
2-methylsulfonyl-4-(4-piperidin-4-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine
CID 122694194

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide (CID 122694157) is N-cyclopropyl-4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide is CS(=O)(=O)c1nccc(-c2ccc(C(=O)NC3CC3)cc2)c1-c1nn[nH]n1.
What is the InChIKey of N-cyclopropyl-4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide?
The InChIKey is ISEQLRHHIDOZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O3S/c1-27(25,26)17-14(15-20-22-23-21-15)13(8-9-18-17)10-2-4-11(5-3-10)16(24)19-12-6-7-12/h2-5,8-9,12H,6-7H2,1H3,(H,19,24)(H,20,21,22,23).
What are the key properties of N-cyclopropyl-4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide?
N-cyclopropyl-4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide has a molecular weight of 384.42 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide is sourced from PubChem (CID 122694157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).