4-(4-piperazin-1-ylpiperidin-1-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide

C15H23N9O2S — CID 118266159

IUPAC4-(4-piperazin-1-ylpiperidin-1-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1nccc(N2CCC(N3CCNCC3)CC2)c1-c1nn[nH]n1
InChIInChI=1S/C15H23N9O2S/c16-27(25,26)15-13(14-19-21-22-20-14)12(1-4-18-15)24-7-2-11(3-8-24)23-9-5-17-6-10-23/h1,4,11,17H,2-3,5-10H2,(H2,16,25,26)(H,19,20,21,22)
InChIKeyOBVHZTAPDCBERW-UHFFFAOYSA-N
MW393.48 g/mol
LogP-1.22
Rot. Bonds4

About 4-(4-piperazin-1-ylpiperidin-1-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide

4-(4-piperazin-1-ylpiperidin-1-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide (PubChem CID 118266159) has the molecular formula C15H23N9O2S and a molecular weight of 393.48 g/mol. Its IUPAC name is 4-(4-piperazin-1-ylpiperidin-1-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name4-(4-piperazin-1-ylpiperidin-1-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
PubChem CID118266159
Molecular FormulaC15H23N9O2S
Molecular Weight393.48 g/mol
Exact Mass393.17
IUPAC Name4-(4-piperazin-1-ylpiperidin-1-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1nccc(N2CCC(N3CCNCC3)CC2)c1-c1nn[nH]n1
InChIInChI=1S/C15H23N9O2S/c16-27(25,26)15-13(14-19-21-22-20-14)12(1-4-18-15)24-7-2-11(3-8-24)23-9-5-17-6-10-23/h1,4,11,17H,2-3,5-10H2,(H2,16,25,26)(H,19,20,21,22)
InChIKeyOBVHZTAPDCBERW-UHFFFAOYSA-N
XLogP-1.22
TPSA146.02 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-(4-piperazin-1-ylpiperidin-1-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The IUPAC name of 4-(4-piperazin-1-ylpiperidin-1-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide (CID 118266159) is 4-(4-piperazin-1-ylpiperidin-1-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide.
What is the SMILES notation for 4-(4-piperazin-1-ylpiperidin-1-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The canonical SMILES for 4-(4-piperazin-1-ylpiperidin-1-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide is NS(=O)(=O)c1nccc(N2CCC(N3CCNCC3)CC2)c1-c1nn[nH]n1.
What is the InChIKey of 4-(4-piperazin-1-ylpiperidin-1-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The InChIKey is OBVHZTAPDCBERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N9O2S/c16-27(25,26)15-13(14-19-21-22-20-14)12(1-4-18-15)24-7-2-11(3-8-24)23-9-5-17-6-10-23/h1,4,11,17H,2-3,5-10H2,(H2,16,25,26)(H,19,20,21,22).
What are the key properties of 4-(4-piperazin-1-ylpiperidin-1-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
4-(4-piperazin-1-ylpiperidin-1-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide has a molecular weight of 393.48 g/mol, XLogP of -1.22, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-piperazin-1-ylpiperidin-1-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide is sourced from PubChem (CID 118266159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).