2,4-dimethyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonohydrazide

C12H17N3O3S — CID 3315168

IUPAC2,4-dimethyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonohydrazide
SMILESCc1ccc(S(=O)(=O)NN)c(C)c1N1CCCC1=O
InChIInChI=1S/C12H17N3O3S/c1-8-5-6-10(19(17,18)14-13)9(2)12(8)15-7-3-4-11(15)16/h5-6,14H,3-4,7,13H2,1-2H3
InChIKeyKRNJJUQCNCTPLO-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.58
Rot. Bonds3

About 2,4-dimethyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonohydrazide

2,4-dimethyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonohydrazide (PubChem CID 3315168) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2,4-dimethyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonohydrazide.

Molecular Properties

Compound Name2,4-dimethyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonohydrazide
PubChem CID3315168
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name2,4-dimethyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonohydrazide
SMILESCc1ccc(S(=O)(=O)NN)c(C)c1N1CCCC1=O
InChIInChI=1S/C12H17N3O3S/c1-8-5-6-10(19(17,18)14-13)9(2)12(8)15-7-3-4-11(15)16/h5-6,14H,3-4,7,13H2,1-2H3
InChIKeyKRNJJUQCNCTPLO-UHFFFAOYSA-N
XLogP0.58
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonohydrazide?
The IUPAC name of 2,4-dimethyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonohydrazide (CID 3315168) is 2,4-dimethyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonohydrazide.
What is the SMILES notation for 2,4-dimethyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonohydrazide?
The canonical SMILES for 2,4-dimethyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonohydrazide is Cc1ccc(S(=O)(=O)NN)c(C)c1N1CCCC1=O.
What is the InChIKey of 2,4-dimethyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonohydrazide?
The InChIKey is KRNJJUQCNCTPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-8-5-6-10(19(17,18)14-13)9(2)12(8)15-7-3-4-11(15)16/h5-6,14H,3-4,7,13H2,1-2H3.
What are the key properties of 2,4-dimethyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonohydrazide?
2,4-dimethyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonohydrazide has a molecular weight of 283.35 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonohydrazide is sourced from PubChem (CID 3315168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).