6-[4-(4-sulfamoylphenyl)piperazin-1-yl]pyridine-2-carboxylic acid

C16H18N4O4S — CID 122053018

IUPAC6-[4-(4-sulfamoylphenyl)piperazin-1-yl]pyridine-2-carboxylic acid
SMILESNS(=O)(=O)c1ccc(N2CCN(c3cccc(C(=O)O)n3)CC2)cc1
InChIInChI=1S/C16H18N4O4S/c17-25(23,24)13-6-4-12(5-7-13)19-8-10-20(11-9-19)15-3-1-2-14(18-15)16(21)22/h1-7H,8-11H2,(H,21,22)(H2,17,23,24)
InChIKeyVJUAJYCNXNCGOQ-UHFFFAOYSA-N
MW362.41 g/mol
LogP0.75
Rot. Bonds4

About 6-[4-(4-sulfamoylphenyl)piperazin-1-yl]pyridine-2-carboxylic acid

6-[4-(4-sulfamoylphenyl)piperazin-1-yl]pyridine-2-carboxylic acid (PubChem CID 122053018) has the molecular formula C16H18N4O4S and a molecular weight of 362.41 g/mol. Its IUPAC name is 6-[4-(4-sulfamoylphenyl)piperazin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-(4-sulfamoylphenyl)piperazin-1-yl]pyridine-2-carboxylic acid
PubChem CID122053018
Molecular FormulaC16H18N4O4S
Molecular Weight362.41 g/mol
Exact Mass362.10
IUPAC Name6-[4-(4-sulfamoylphenyl)piperazin-1-yl]pyridine-2-carboxylic acid
SMILESNS(=O)(=O)c1ccc(N2CCN(c3cccc(C(=O)O)n3)CC2)cc1
InChIInChI=1S/C16H18N4O4S/c17-25(23,24)13-6-4-12(5-7-13)19-8-10-20(11-9-19)15-3-1-2-14(18-15)16(21)22/h1-7H,8-11H2,(H,21,22)(H2,17,23,24)
InChIKeyVJUAJYCNXNCGOQ-UHFFFAOYSA-N
XLogP0.75
TPSA116.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-(4-aminophenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 163578715
6-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carboxylic acid
CID 122047573
6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 173099499
6-(3-hydroxyazetidin-1-yl)pyridine-2-carboxylic acid
CID 83830615
6-(4-carbamoylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 55053558
(4-phenylpiperazin-1-yl)-(6-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 84573598
6-(3-fluoropyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 122057812
6-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyridine-2-carboxylic acid
CID 122053320
4-[4-(3-aminopropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride
CID 119843946
6-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridine-2-carboxylic acid
CID 122057283
(6-morpholin-4-yl-2-pyridinyl)-(4-phenylpiperazin-1-yl)methanone
CID 84574001
6-(4-propan-2-ylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 103496539

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-sulfamoylphenyl)piperazin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[4-(4-sulfamoylphenyl)piperazin-1-yl]pyridine-2-carboxylic acid (CID 122053018) is 6-[4-(4-sulfamoylphenyl)piperazin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[4-(4-sulfamoylphenyl)piperazin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[4-(4-sulfamoylphenyl)piperazin-1-yl]pyridine-2-carboxylic acid is NS(=O)(=O)c1ccc(N2CCN(c3cccc(C(=O)O)n3)CC2)cc1.
What is the InChIKey of 6-[4-(4-sulfamoylphenyl)piperazin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is VJUAJYCNXNCGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4S/c17-25(23,24)13-6-4-12(5-7-13)19-8-10-20(11-9-19)15-3-1-2-14(18-15)16(21)22/h1-7H,8-11H2,(H,21,22)(H2,17,23,24).
What are the key properties of 6-[4-(4-sulfamoylphenyl)piperazin-1-yl]pyridine-2-carboxylic acid?
6-[4-(4-sulfamoylphenyl)piperazin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 362.41 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-sulfamoylphenyl)piperazin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 122053018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).