4-(2-oxo-1H-quinolin-4-yl)piperazine-1-sulfonamide

C13H16N4O3S — CID 177003378

IUPAC4-(2-oxo-1H-quinolin-4-yl)piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(c2cc(=O)[nH]c3ccccc23)CC1
InChIInChI=1S/C13H16N4O3S/c14-21(19,20)17-7-5-16(6-8-17)12-9-13(18)15-11-4-2-1-3-10(11)12/h1-4,9H,5-8H2,(H,15,18)(H2,14,19,20)
InChIKeyVWSFLVRXXGFPNH-UHFFFAOYSA-N
MW308.36 g/mol
LogP-0.15
Rot. Bonds2

About 4-(2-oxo-1H-quinolin-4-yl)piperazine-1-sulfonamide

4-(2-oxo-1H-quinolin-4-yl)piperazine-1-sulfonamide (PubChem CID 177003378) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is 4-(2-oxo-1H-quinolin-4-yl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(2-oxo-1H-quinolin-4-yl)piperazine-1-sulfonamide
PubChem CID177003378
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC Name4-(2-oxo-1H-quinolin-4-yl)piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(c2cc(=O)[nH]c3ccccc23)CC1
InChIInChI=1S/C13H16N4O3S/c14-21(19,20)17-7-5-16(6-8-17)12-9-13(18)15-11-4-2-1-3-10(11)12/h1-4,9H,5-8H2,(H,15,18)(H2,14,19,20)
InChIKeyVWSFLVRXXGFPNH-UHFFFAOYSA-N
XLogP-0.15
TPSA99.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-1H-quinolin-4-yl)piperazine-1-sulfonamide?
The IUPAC name of 4-(2-oxo-1H-quinolin-4-yl)piperazine-1-sulfonamide (CID 177003378) is 4-(2-oxo-1H-quinolin-4-yl)piperazine-1-sulfonamide.
What is the SMILES notation for 4-(2-oxo-1H-quinolin-4-yl)piperazine-1-sulfonamide?
The canonical SMILES for 4-(2-oxo-1H-quinolin-4-yl)piperazine-1-sulfonamide is NS(=O)(=O)N1CCN(c2cc(=O)[nH]c3ccccc23)CC1.
What is the InChIKey of 4-(2-oxo-1H-quinolin-4-yl)piperazine-1-sulfonamide?
The InChIKey is VWSFLVRXXGFPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c14-21(19,20)17-7-5-16(6-8-17)12-9-13(18)15-11-4-2-1-3-10(11)12/h1-4,9H,5-8H2,(H,15,18)(H2,14,19,20).
What are the key properties of 4-(2-oxo-1H-quinolin-4-yl)piperazine-1-sulfonamide?
4-(2-oxo-1H-quinolin-4-yl)piperazine-1-sulfonamide has a molecular weight of 308.36 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-1H-quinolin-4-yl)piperazine-1-sulfonamide is sourced from PubChem (CID 177003378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).