N-[4-(3-oxopiperazine-1-carbonyl)phenyl]methanesulfonamide

C12H15N3O4S — CID 35795642

IUPACN-[4-(3-oxopiperazine-1-carbonyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)N2CCNC(=O)C2)cc1
InChIInChI=1S/C12H15N3O4S/c1-20(18,19)14-10-4-2-9(3-5-10)12(17)15-7-6-13-11(16)8-15/h2-5,14H,6-8H2,1H3,(H,13,16)
InChIKeyGGTNGTYLLLESJX-UHFFFAOYSA-N
MW297.34 g/mol
LogP-0.37
Rot. Bonds3

About N-[4-(3-oxopiperazine-1-carbonyl)phenyl]methanesulfonamide

N-[4-(3-oxopiperazine-1-carbonyl)phenyl]methanesulfonamide (PubChem CID 35795642) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is N-[4-(3-oxopiperazine-1-carbonyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(3-oxopiperazine-1-carbonyl)phenyl]methanesulfonamide
PubChem CID35795642
Molecular FormulaC12H15N3O4S
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC NameN-[4-(3-oxopiperazine-1-carbonyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)N2CCNC(=O)C2)cc1
InChIInChI=1S/C12H15N3O4S/c1-20(18,19)14-10-4-2-9(3-5-10)12(17)15-7-6-13-11(16)8-15/h2-5,14H,6-8H2,1H3,(H,13,16)
InChIKeyGGTNGTYLLLESJX-UHFFFAOYSA-N
XLogP-0.37
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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4-(4-hydrazinylbenzoyl)piperazin-2-one
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N-[6-(3-oxopiperazine-1-carbonyl)-1,3-benzothiazol-2-yl]methanesulfonamide
CID 39342305
4-(4-sulfanylbenzoyl)piperazin-2-one
CID 107021530
4-(4-aminobenzoyl)piperazin-2-one;hydrochloride
CID 119681651
4-[4-[(5-oxo-1,2-dihydropyrrol-3-yl)amino]benzoyl]piperazin-2-one
CID 125433756
N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methanesulfonamide
CID 2977810
4-(3-oxopiperazine-1-carbonyl)benzonitrile
CID 24699494
N-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]methanesulfonamide
CID 7029961
N-[4-[4-(4-tert-butylbenzoyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 108535301
4-[4-[(dimethylamino)methyl]benzoyl]piperazin-2-one
CID 62734574
[4-(3-oxo-1,4-diazepane-1-carbonyl)phenyl]urea
CID 62896644

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-oxopiperazine-1-carbonyl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(3-oxopiperazine-1-carbonyl)phenyl]methanesulfonamide (CID 35795642) is N-[4-(3-oxopiperazine-1-carbonyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(3-oxopiperazine-1-carbonyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(3-oxopiperazine-1-carbonyl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(C(=O)N2CCNC(=O)C2)cc1.
What is the InChIKey of N-[4-(3-oxopiperazine-1-carbonyl)phenyl]methanesulfonamide?
The InChIKey is GGTNGTYLLLESJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S/c1-20(18,19)14-10-4-2-9(3-5-10)12(17)15-7-6-13-11(16)8-15/h2-5,14H,6-8H2,1H3,(H,13,16).
What are the key properties of N-[4-(3-oxopiperazine-1-carbonyl)phenyl]methanesulfonamide?
N-[4-(3-oxopiperazine-1-carbonyl)phenyl]methanesulfonamide has a molecular weight of 297.34 g/mol, XLogP of -0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-oxopiperazine-1-carbonyl)phenyl]methanesulfonamide is sourced from PubChem (CID 35795642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).