4-[4-(hydrazinecarbonyl)-2-oxopyrrolidin-1-yl]-2,5-dimethylbenzenesulfonamide

C13H18N4O4S — CID 155524252

IUPAC4-[4-(hydrazinecarbonyl)-2-oxopyrrolidin-1-yl]-2,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)c(C)cc1N1CC(C(=O)NN)CC1=O
InChIInChI=1S/C13H18N4O4S/c1-7-4-11(22(15,20)21)8(2)3-10(7)17-6-9(5-12(17)18)13(19)16-14/h3-4,9H,5-6,14H2,1-2H3,(H,16,19)(H2,15,20,21)
InChIKeyQKRANWMIHBZHSL-UHFFFAOYSA-N
MW326.38 g/mol
LogP-0.71
Rot. Bonds3

About 4-[4-(hydrazinecarbonyl)-2-oxopyrrolidin-1-yl]-2,5-dimethylbenzenesulfonamide

4-[4-(hydrazinecarbonyl)-2-oxopyrrolidin-1-yl]-2,5-dimethylbenzenesulfonamide (PubChem CID 155524252) has the molecular formula C13H18N4O4S and a molecular weight of 326.38 g/mol. Its IUPAC name is 4-[4-(hydrazinecarbonyl)-2-oxopyrrolidin-1-yl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[4-(hydrazinecarbonyl)-2-oxopyrrolidin-1-yl]-2,5-dimethylbenzenesulfonamide
PubChem CID155524252
Molecular FormulaC13H18N4O4S
Molecular Weight326.38 g/mol
Exact Mass326.10
IUPAC Name4-[4-(hydrazinecarbonyl)-2-oxopyrrolidin-1-yl]-2,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)c(C)cc1N1CC(C(=O)NN)CC1=O
InChIInChI=1S/C13H18N4O4S/c1-7-4-11(22(15,20)21)8(2)3-10(7)17-6-9(5-12(17)18)13(19)16-14/h3-4,9H,5-6,14H2,1-2H3,(H,16,19)(H2,15,20,21)
InChIKeyQKRANWMIHBZHSL-UHFFFAOYSA-N
XLogP-0.71
TPSA135.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[4-(hydrazinecarbonyl)-2-oxopyrrolidin-1-yl]-2,5-dimethylbenzenesulfonamide 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 4-[4-(hydrazinecarbonyl)-2-oxopyrrolidin-1-yl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of 4-[4-(hydrazinecarbonyl)-2-oxopyrrolidin-1-yl]-2,5-dimethylbenzenesulfonamide (CID 155524252) is 4-[4-(hydrazinecarbonyl)-2-oxopyrrolidin-1-yl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[4-(hydrazinecarbonyl)-2-oxopyrrolidin-1-yl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[4-(hydrazinecarbonyl)-2-oxopyrrolidin-1-yl]-2,5-dimethylbenzenesulfonamide is Cc1cc(S(N)(=O)=O)c(C)cc1N1CC(C(=O)NN)CC1=O.
What is the InChIKey of 4-[4-(hydrazinecarbonyl)-2-oxopyrrolidin-1-yl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is QKRANWMIHBZHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4S/c1-7-4-11(22(15,20)21)8(2)3-10(7)17-6-9(5-12(17)18)13(19)16-14/h3-4,9H,5-6,14H2,1-2H3,(H,16,19)(H2,15,20,21).
What are the key properties of 4-[4-(hydrazinecarbonyl)-2-oxopyrrolidin-1-yl]-2,5-dimethylbenzenesulfonamide?
4-[4-(hydrazinecarbonyl)-2-oxopyrrolidin-1-yl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 326.38 g/mol, XLogP of -0.71, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(hydrazinecarbonyl)-2-oxopyrrolidin-1-yl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 155524252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).