5-oxo-N-[(4-sulfamoylphenyl)methyl]piperazine-2-carboxamide

C12H16N4O4S — CID 76890368

IUPAC5-oxo-N-[(4-sulfamoylphenyl)methyl]piperazine-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)C2CNC(=O)CN2)cc1
InChIInChI=1S/C12H16N4O4S/c13-21(19,20)9-3-1-8(2-4-9)5-16-12(18)10-6-15-11(17)7-14-10/h1-4,10,14H,5-7H2,(H,15,17)(H,16,18)(H2,13,19,20)
InChIKeyVXMNULBTHQFMMX-UHFFFAOYSA-N
MW312.35 g/mol
LogP-1.96
Rot. Bonds4

About 5-oxo-N-[(4-sulfamoylphenyl)methyl]piperazine-2-carboxamide

5-oxo-N-[(4-sulfamoylphenyl)methyl]piperazine-2-carboxamide (PubChem CID 76890368) has the molecular formula C12H16N4O4S and a molecular weight of 312.35 g/mol. Its IUPAC name is 5-oxo-N-[(4-sulfamoylphenyl)methyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name5-oxo-N-[(4-sulfamoylphenyl)methyl]piperazine-2-carboxamide
PubChem CID76890368
Molecular FormulaC12H16N4O4S
Molecular Weight312.35 g/mol
Exact Mass312.09
IUPAC Name5-oxo-N-[(4-sulfamoylphenyl)methyl]piperazine-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)C2CNC(=O)CN2)cc1
InChIInChI=1S/C12H16N4O4S/c13-21(19,20)9-3-1-8(2-4-9)5-16-12(18)10-6-15-11(17)7-14-10/h1-4,10,14H,5-7H2,(H,15,17)(H,16,18)(H2,13,19,20)
InChIKeyVXMNULBTHQFMMX-UHFFFAOYSA-N
XLogP-1.96
TPSA130.39 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 5-1.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[(5-oxopiperazine-2-carbonyl)amino]methyl]benzoate
CID 107435812
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CID 22691434
N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119263305
N-[[4-(4-carbamoylpiperidin-1-yl)phenyl]methyl]-5-oxopiperazine-2-carboxamide
CID 167991173
4-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-2-carboxamide
CID 114422610
N-(2-amino-2-oxoethyl)-5-oxopiperazine-2-carboxamide
CID 107433351
N-[(4-sulfamoylphenyl)methyl]cycloheptanecarboxamide
CID 10470657
N-[2-(4-methoxyphenyl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107433442
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-oxopiperazine-2-carboxamide
CID 107435917
5-pyridin-3-yl-N-[(4-sulfamoylphenyl)methyl]pyrazolidine-3-carboxamide
CID 134086296
5-oxo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperazine-2-carboxamide
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CID 107437406

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[(4-sulfamoylphenyl)methyl]piperazine-2-carboxamide?
The IUPAC name of 5-oxo-N-[(4-sulfamoylphenyl)methyl]piperazine-2-carboxamide (CID 76890368) is 5-oxo-N-[(4-sulfamoylphenyl)methyl]piperazine-2-carboxamide.
What is the SMILES notation for 5-oxo-N-[(4-sulfamoylphenyl)methyl]piperazine-2-carboxamide?
The canonical SMILES for 5-oxo-N-[(4-sulfamoylphenyl)methyl]piperazine-2-carboxamide is NS(=O)(=O)c1ccc(CNC(=O)C2CNC(=O)CN2)cc1.
What is the InChIKey of 5-oxo-N-[(4-sulfamoylphenyl)methyl]piperazine-2-carboxamide?
The InChIKey is VXMNULBTHQFMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4S/c13-21(19,20)9-3-1-8(2-4-9)5-16-12(18)10-6-15-11(17)7-14-10/h1-4,10,14H,5-7H2,(H,15,17)(H,16,18)(H2,13,19,20).
What are the key properties of 5-oxo-N-[(4-sulfamoylphenyl)methyl]piperazine-2-carboxamide?
5-oxo-N-[(4-sulfamoylphenyl)methyl]piperazine-2-carboxamide has a molecular weight of 312.35 g/mol, XLogP of -1.96, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[(4-sulfamoylphenyl)methyl]piperazine-2-carboxamide is sourced from PubChem (CID 76890368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).