5-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1H-pyridin-2-one

C16H17N3O4S — CID 7534242

IUPAC5-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc(=O)[nH]c1)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C16H17N3O4S/c20-15-7-6-13(12-17-15)16(21)18-8-10-19(11-9-18)24(22,23)14-4-2-1-3-5-14/h1-7,12H,8-11H2,(H,17,20)
InChIKeyZUWOBFNOIKKBNI-UHFFFAOYSA-N
MW347.40 g/mol
LogP0.52
Rot. Bonds3

About 5-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1H-pyridin-2-one

5-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 7534242) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is 5-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1H-pyridin-2-one
PubChem CID7534242
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC Name5-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc(=O)[nH]c1)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C16H17N3O4S/c20-15-7-6-13(12-17-15)16(21)18-8-10-19(11-9-18)24(22,23)14-4-2-1-3-5-14/h1-7,12H,8-11H2,(H,17,20)
InChIKeyZUWOBFNOIKKBNI-UHFFFAOYSA-N
XLogP0.52
TPSA90.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1H-pyridin-2-one (CID 7534242) is 5-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1H-pyridin-2-one is O=C(c1ccc(=O)[nH]c1)N1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 5-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is ZUWOBFNOIKKBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S/c20-15-7-6-13(12-17-15)16(21)18-8-10-19(11-9-18)24(22,23)14-4-2-1-3-5-14/h1-7,12H,8-11H2,(H,17,20).
What are the key properties of 5-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
5-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 347.40 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 7534242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).