4-(4-piperidin-4-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide

C17H19N7O2S — CID 118265341

IUPAC4-(4-piperidin-4-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1nccc(-c2ccc(C3CCNCC3)cc2)c1-c1nn[nH]n1
InChIInChI=1S/C17H19N7O2S/c18-27(25,26)17-15(16-21-23-24-22-16)14(7-10-20-17)13-3-1-11(2-4-13)12-5-8-19-9-6-12/h1-4,7,10,12,19H,5-6,8-9H2,(H2,18,25,26)(H,21,22,23,24)
InChIKeyXWVYMXREVASDCK-UHFFFAOYSA-N
MW385.45 g/mol
LogP1.04
Rot. Bonds4

About 4-(4-piperidin-4-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide

4-(4-piperidin-4-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide (PubChem CID 118265341) has the molecular formula C17H19N7O2S and a molecular weight of 385.45 g/mol. Its IUPAC name is 4-(4-piperidin-4-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name4-(4-piperidin-4-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
PubChem CID118265341
Molecular FormulaC17H19N7O2S
Molecular Weight385.45 g/mol
Exact Mass385.13
IUPAC Name4-(4-piperidin-4-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1nccc(-c2ccc(C3CCNCC3)cc2)c1-c1nn[nH]n1
InChIInChI=1S/C17H19N7O2S/c18-27(25,26)17-15(16-21-23-24-22-16)14(7-10-20-17)13-3-1-11(2-4-13)12-5-8-19-9-6-12/h1-4,7,10,12,19H,5-6,8-9H2,(H2,18,25,26)(H,21,22,23,24)
InChIKeyXWVYMXREVASDCK-UHFFFAOYSA-N
XLogP1.04
TPSA139.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-piperidin-4-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The IUPAC name of 4-(4-piperidin-4-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide (CID 118265341) is 4-(4-piperidin-4-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide.
What is the SMILES notation for 4-(4-piperidin-4-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The canonical SMILES for 4-(4-piperidin-4-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide is NS(=O)(=O)c1nccc(-c2ccc(C3CCNCC3)cc2)c1-c1nn[nH]n1.
What is the InChIKey of 4-(4-piperidin-4-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The InChIKey is XWVYMXREVASDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O2S/c18-27(25,26)17-15(16-21-23-24-22-16)14(7-10-20-17)13-3-1-11(2-4-13)12-5-8-19-9-6-12/h1-4,7,10,12,19H,5-6,8-9H2,(H2,18,25,26)(H,21,22,23,24).
What are the key properties of 4-(4-piperidin-4-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
4-(4-piperidin-4-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide has a molecular weight of 385.45 g/mol, XLogP of 1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-piperidin-4-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide is sourced from PubChem (CID 118265341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).