4-[2-(benzenesulfonyl)acetyl]piperazine-2-carboxamide

C13H17N3O4S — CID 163141018

IUPAC4-[2-(benzenesulfonyl)acetyl]piperazine-2-carboxamide
SMILESNC(=O)C1CN(C(=O)CS(=O)(=O)c2ccccc2)CCN1
InChIInChI=1S/C13H17N3O4S/c14-13(18)11-8-16(7-6-15-11)12(17)9-21(19,20)10-4-2-1-3-5-10/h1-5,11,15H,6-9H2,(H2,14,18)
InChIKeyJUDGKXNHFUEYOO-UHFFFAOYSA-N
MW311.36 g/mol
LogP-1.25
Rot. Bonds4

About 4-[2-(benzenesulfonyl)acetyl]piperazine-2-carboxamide

4-[2-(benzenesulfonyl)acetyl]piperazine-2-carboxamide (PubChem CID 163141018) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is 4-[2-(benzenesulfonyl)acetyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(benzenesulfonyl)acetyl]piperazine-2-carboxamide
PubChem CID163141018
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC Name4-[2-(benzenesulfonyl)acetyl]piperazine-2-carboxamide
SMILESNC(=O)C1CN(C(=O)CS(=O)(=O)c2ccccc2)CCN1
InChIInChI=1S/C13H17N3O4S/c14-13(18)11-8-16(7-6-15-11)12(17)9-21(19,20)10-4-2-1-3-5-10/h1-5,11,15H,6-9H2,(H2,14,18)
InChIKeyJUDGKXNHFUEYOO-UHFFFAOYSA-N
XLogP-1.25
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(benzenesulfonyl)acetyl]piperidine-4-carboxamide
CID 17312294
2-(benzenesulfonyl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 58395167
4-(3-methylbutanoyl)piperazine-2-carboxamide
CID 142644148
(2R)-4-(2-methoxyacetyl)piperazine-2-carboxamide
CID 25391090
4-acetyl-N-(benzenesulfonyl)piperazine-2-carboxamide
CID 70061354
(2R)-4-[4-(benzenesulfonyl)butanoyl]-1-propan-2-ylpiperazine-2-carboxamide
CID 125001330
N-methyl-N-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide;hydrochloride
CID 119576332
3-(benzenesulfonyl)-1-(9-methyl-1,4,7-triazecan-1-yl)propan-1-one
CID 138668425
4-[4-(dimethylamino)benzoyl]piperazine-2-carboxamide
CID 78441973
4-iodopiperazine-2-carboxamide
CID 167254743
3-(benzenesulfonyl)-1-(3,5-dimethylpiperidin-1-yl)propan-1-one
CID 17310076
ethyl 4-benzoylpiperazine-2-carboxylate
CID 18412087

Frequently Asked Questions

What is the IUPAC name of 4-[2-(benzenesulfonyl)acetyl]piperazine-2-carboxamide?
The IUPAC name of 4-[2-(benzenesulfonyl)acetyl]piperazine-2-carboxamide (CID 163141018) is 4-[2-(benzenesulfonyl)acetyl]piperazine-2-carboxamide.
What is the SMILES notation for 4-[2-(benzenesulfonyl)acetyl]piperazine-2-carboxamide?
The canonical SMILES for 4-[2-(benzenesulfonyl)acetyl]piperazine-2-carboxamide is NC(=O)C1CN(C(=O)CS(=O)(=O)c2ccccc2)CCN1.
What is the InChIKey of 4-[2-(benzenesulfonyl)acetyl]piperazine-2-carboxamide?
The InChIKey is JUDGKXNHFUEYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c14-13(18)11-8-16(7-6-15-11)12(17)9-21(19,20)10-4-2-1-3-5-10/h1-5,11,15H,6-9H2,(H2,14,18).
What are the key properties of 4-[2-(benzenesulfonyl)acetyl]piperazine-2-carboxamide?
4-[2-(benzenesulfonyl)acetyl]piperazine-2-carboxamide has a molecular weight of 311.36 g/mol, XLogP of -1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(benzenesulfonyl)acetyl]piperazine-2-carboxamide is sourced from PubChem (CID 163141018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).