4-acetyl-N-(benzenesulfonyl)piperazine-2-carboxamide

C13H17N3O4S — CID 70061354

IUPAC4-acetyl-N-(benzenesulfonyl)piperazine-2-carboxamide
SMILESCC(=O)N1CCNC(C(=O)NS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C13H17N3O4S/c1-10(17)16-8-7-14-12(9-16)13(18)15-21(19,20)11-5-3-2-4-6-11/h2-6,12,14H,7-9H2,1H3,(H,15,18)
InChIKeyUKZZDFCZQSKJAP-UHFFFAOYSA-N
MW311.36 g/mol
LogP-0.69
Rot. Bonds3

About 4-acetyl-N-(benzenesulfonyl)piperazine-2-carboxamide

4-acetyl-N-(benzenesulfonyl)piperazine-2-carboxamide (PubChem CID 70061354) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is 4-acetyl-N-(benzenesulfonyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(benzenesulfonyl)piperazine-2-carboxamide
PubChem CID70061354
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC Name4-acetyl-N-(benzenesulfonyl)piperazine-2-carboxamide
SMILESCC(=O)N1CCNC(C(=O)NS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C13H17N3O4S/c1-10(17)16-8-7-14-12(9-16)13(18)15-21(19,20)11-5-3-2-4-6-11/h2-6,12,14H,7-9H2,1H3,(H,15,18)
InChIKeyUKZZDFCZQSKJAP-UHFFFAOYSA-N
XLogP-0.69
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-4-acetyl-N-(4-fluorophenyl)piperazine-2-carboxamide
CID 124987342
4-acetyl-N-(4-fluorophenyl)piperazine-2-carboxamide
CID 110086720
1-[(3R)-3-benzylpiperazin-1-yl]ethanone
CID 94985339
acetic acid;4-(diphenylcarbamoyl)piperazine-2-carboxylic acid
CID 70074391
4-[2-(benzenesulfonyl)acetyl]piperazine-2-carboxamide
CID 163141018
1-(3-benzylpiperazin-1-yl)ethanone;hydrochloride
CID 75366058
N-(benzenesulfonyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 103308797
N-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 146156641
ethane;1-[3-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 142506906
(2S)-4-(diphenylcarbamoyl)piperazine-2-carboxylic acid
CID 54011056
1-[4-(benzenesulfonyl)-3-methylpiperazin-1-yl]ethanone
CID 170409197
N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]benzenesulfonamide;hydrochloride
CID 119276101

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(benzenesulfonyl)piperazine-2-carboxamide?
The IUPAC name of 4-acetyl-N-(benzenesulfonyl)piperazine-2-carboxamide (CID 70061354) is 4-acetyl-N-(benzenesulfonyl)piperazine-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-(benzenesulfonyl)piperazine-2-carboxamide?
The canonical SMILES for 4-acetyl-N-(benzenesulfonyl)piperazine-2-carboxamide is CC(=O)N1CCNC(C(=O)NS(=O)(=O)c2ccccc2)C1.
What is the InChIKey of 4-acetyl-N-(benzenesulfonyl)piperazine-2-carboxamide?
The InChIKey is UKZZDFCZQSKJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c1-10(17)16-8-7-14-12(9-16)13(18)15-21(19,20)11-5-3-2-4-6-11/h2-6,12,14H,7-9H2,1H3,(H,15,18).
What are the key properties of 4-acetyl-N-(benzenesulfonyl)piperazine-2-carboxamide?
4-acetyl-N-(benzenesulfonyl)piperazine-2-carboxamide has a molecular weight of 311.36 g/mol, XLogP of -0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(benzenesulfonyl)piperazine-2-carboxamide is sourced from PubChem (CID 70061354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).