4-[4-(hydrazinecarbonyl)-2-oxopyrrolidin-1-yl]-2,6-dimethylbenzenesulfonamide

C13H18N4O4S — CID 155520598

IUPAC4-[4-(hydrazinecarbonyl)-2-oxopyrrolidin-1-yl]-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(N2CC(C(=O)NN)CC2=O)cc(C)c1S(N)(=O)=O
InChIInChI=1S/C13H18N4O4S/c1-7-3-10(4-8(2)12(7)22(15,20)21)17-6-9(5-11(17)18)13(19)16-14/h3-4,9H,5-6,14H2,1-2H3,(H,16,19)(H2,15,20,21)
InChIKeyZXIVZPANALWVLV-UHFFFAOYSA-N
MW326.38 g/mol
LogP-0.71
Rot. Bonds3

About 4-[4-(hydrazinecarbonyl)-2-oxopyrrolidin-1-yl]-2,6-dimethylbenzenesulfonamide

4-[4-(hydrazinecarbonyl)-2-oxopyrrolidin-1-yl]-2,6-dimethylbenzenesulfonamide (PubChem CID 155520598) 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]-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[4-(hydrazinecarbonyl)-2-oxopyrrolidin-1-yl]-2,6-dimethylbenzenesulfonamide
PubChem CID155520598
Molecular FormulaC13H18N4O4S
Molecular Weight326.38 g/mol
Exact Mass326.10
IUPAC Name4-[4-(hydrazinecarbonyl)-2-oxopyrrolidin-1-yl]-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(N2CC(C(=O)NN)CC2=O)cc(C)c1S(N)(=O)=O
InChIInChI=1S/C13H18N4O4S/c1-7-3-10(4-8(2)12(7)22(15,20)21)17-6-9(5-11(17)18)13(19)16-14/h3-4,9H,5-6,14H2,1-2H3,(H,16,19)(H2,15,20,21)
InChIKeyZXIVZPANALWVLV-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'}

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Related Compounds

4-[4-(Hydrazinocarbonyl)-2-oxo-1-pyrrolidinyl]benzenesulfonamide
CID 129885267
1-(3,5-Dimethyl-4-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 155514238
Methyl 1-(3,5-dimethyl-4-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 155515322
N-(3,5-dimethyl-4-sulfamoylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 155519746
4-[4-(Hydrazinecarbonyl)-2-oxopyrrolidin-1-yl]-2,5-dimethylbenzenesulfonamide
CID 155524252
3-Chloro-4-[4-(hydrazinecarbonyl)-2-oxopyrrolidin-1-yl]-2,6-dimethylbenzenesulfonamide
CID 155527199
N-[(E)-benzylideneamino]-1-(3,5-dimethyl-4-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 155537230
1-[[1-(3,5-Dimethyl-4-sulfamoylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylthiourea
CID 155564683
1-[[1-(3,5-Dimethyl-4-sulfamoylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-oxopyrrolidine-3-carboxylic acid
CID 155568583
N-ethyl-2,6-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 706858
2,6-Dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 847885
1-[3,5-Dimethyl-4-(1-piperidinylsulfonyl)phenyl]-2-pyrrolidinone
CID 847828

Frequently Asked Questions

What is the IUPAC name of 4-[4-(hydrazinecarbonyl)-2-oxopyrrolidin-1-yl]-2,6-dimethylbenzenesulfonamide?
The IUPAC name of 4-[4-(hydrazinecarbonyl)-2-oxopyrrolidin-1-yl]-2,6-dimethylbenzenesulfonamide (CID 155520598) is 4-[4-(hydrazinecarbonyl)-2-oxopyrrolidin-1-yl]-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[4-(hydrazinecarbonyl)-2-oxopyrrolidin-1-yl]-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[4-(hydrazinecarbonyl)-2-oxopyrrolidin-1-yl]-2,6-dimethylbenzenesulfonamide is Cc1cc(N2CC(C(=O)NN)CC2=O)cc(C)c1S(N)(=O)=O.
What is the InChIKey of 4-[4-(hydrazinecarbonyl)-2-oxopyrrolidin-1-yl]-2,6-dimethylbenzenesulfonamide?
The InChIKey is ZXIVZPANALWVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4S/c1-7-3-10(4-8(2)12(7)22(15,20)21)17-6-9(5-11(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]-2,6-dimethylbenzenesulfonamide?
4-[4-(hydrazinecarbonyl)-2-oxopyrrolidin-1-yl]-2,6-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]-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 155520598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).