N'-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carbohydrazide

C12H15N3O4S — CID 155813594

IUPACN'-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carbohydrazide
SMILESCc1ccc(S(=O)(=O)NNC(=O)C2CCC(=O)N2)cc1
InChIInChI=1S/C12H15N3O4S/c1-8-2-4-9(5-3-8)20(18,19)15-14-12(17)10-6-7-11(16)13-10/h2-5,10,15H,6-7H2,1H3,(H,13,16)(H,14,17)
InChIKeyJHZKWBLMEQJHGU-UHFFFAOYSA-N
MW297.34 g/mol
LogP-0.42
Rot. Bonds4

About N'-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carbohydrazide

N'-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carbohydrazide (PubChem CID 155813594) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is N'-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carbohydrazide
PubChem CID155813594
Molecular FormulaC12H15N3O4S
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC NameN'-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carbohydrazide
SMILESCc1ccc(S(=O)(=O)NNC(=O)C2CCC(=O)N2)cc1
InChIInChI=1S/C12H15N3O4S/c1-8-2-4-9(5-3-8)20(18,19)15-14-12(17)10-6-7-11(16)13-10/h2-5,10,15H,6-7H2,1H3,(H,13,16)(H,14,17)
InChIKeyJHZKWBLMEQJHGU-UHFFFAOYSA-N
XLogP-0.42
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carbohydrazide?
The IUPAC name of N'-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carbohydrazide (CID 155813594) is N'-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carbohydrazide.
What is the SMILES notation for N'-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carbohydrazide?
The canonical SMILES for N'-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carbohydrazide is Cc1ccc(S(=O)(=O)NNC(=O)C2CCC(=O)N2)cc1.
What is the InChIKey of N'-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carbohydrazide?
The InChIKey is JHZKWBLMEQJHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S/c1-8-2-4-9(5-3-8)20(18,19)15-14-12(17)10-6-7-11(16)13-10/h2-5,10,15H,6-7H2,1H3,(H,13,16)(H,14,17).
What are the key properties of N'-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carbohydrazide?
N'-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carbohydrazide has a molecular weight of 297.34 g/mol, XLogP of -0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carbohydrazide is sourced from PubChem (CID 155813594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).