4-pyridin-2-yl-N-(4-sulfamoylphenyl)piperazine-1-carboxamide

C16H19N5O3S — CID 122187640

IUPAC4-pyridin-2-yl-N-(4-sulfamoylphenyl)piperazine-1-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C16H19N5O3S/c17-25(23,24)14-6-4-13(5-7-14)19-16(22)21-11-9-20(10-12-21)15-3-1-2-8-18-15/h1-8H,9-12H2,(H,19,22)(H2,17,23,24)
InChIKeyFOBWNJXTXLXJRW-UHFFFAOYSA-N
MW361.43 g/mol
LogP1.08
Rot. Bonds3

About 4-pyridin-2-yl-N-(4-sulfamoylphenyl)piperazine-1-carboxamide

4-pyridin-2-yl-N-(4-sulfamoylphenyl)piperazine-1-carboxamide (PubChem CID 122187640) has the molecular formula C16H19N5O3S and a molecular weight of 361.43 g/mol. Its IUPAC name is 4-pyridin-2-yl-N-(4-sulfamoylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-pyridin-2-yl-N-(4-sulfamoylphenyl)piperazine-1-carboxamide
PubChem CID122187640
Molecular FormulaC16H19N5O3S
Molecular Weight361.43 g/mol
Exact Mass361.12
IUPAC Name4-pyridin-2-yl-N-(4-sulfamoylphenyl)piperazine-1-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C16H19N5O3S/c17-25(23,24)14-6-4-13(5-7-14)19-16(22)21-11-9-20(10-12-21)15-3-1-2-8-18-15/h1-8H,9-12H2,(H,19,22)(H2,17,23,24)
InChIKeyFOBWNJXTXLXJRW-UHFFFAOYSA-N
XLogP1.08
TPSA108.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-yl-N-(4-sulfamoylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-pyridin-2-yl-N-(4-sulfamoylphenyl)piperazine-1-carboxamide (CID 122187640) is 4-pyridin-2-yl-N-(4-sulfamoylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-pyridin-2-yl-N-(4-sulfamoylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-pyridin-2-yl-N-(4-sulfamoylphenyl)piperazine-1-carboxamide is NS(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of 4-pyridin-2-yl-N-(4-sulfamoylphenyl)piperazine-1-carboxamide?
The InChIKey is FOBWNJXTXLXJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3S/c17-25(23,24)14-6-4-13(5-7-14)19-16(22)21-11-9-20(10-12-21)15-3-1-2-8-18-15/h1-8H,9-12H2,(H,19,22)(H2,17,23,24).
What are the key properties of 4-pyridin-2-yl-N-(4-sulfamoylphenyl)piperazine-1-carboxamide?
4-pyridin-2-yl-N-(4-sulfamoylphenyl)piperazine-1-carboxamide has a molecular weight of 361.43 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-yl-N-(4-sulfamoylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 122187640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).