1-methyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpyrrole-2-carbohydrazide

C16H18N4O4S — CID 18092897

IUPAC1-methyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpyrrole-2-carbohydrazide
SMILESCn1cccc1C(=O)NNS(=O)(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C16H18N4O4S/c1-19-10-2-4-14(19)16(22)17-18-25(23,24)13-8-6-12(7-9-13)20-11-3-5-15(20)21/h2,4,6-10,18H,3,5,11H2,1H3,(H,17,22)
InChIKeyJRYLIESHQFMAQC-UHFFFAOYSA-N
MW362.41 g/mol
LogP0.78
Rot. Bonds5

About 1-methyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpyrrole-2-carbohydrazide

1-methyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpyrrole-2-carbohydrazide (PubChem CID 18092897) has the molecular formula C16H18N4O4S and a molecular weight of 362.41 g/mol. Its IUPAC name is 1-methyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpyrrole-2-carbohydrazide.

Molecular Properties

Compound Name1-methyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpyrrole-2-carbohydrazide
PubChem CID18092897
Molecular FormulaC16H18N4O4S
Molecular Weight362.41 g/mol
Exact Mass362.10
IUPAC Name1-methyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpyrrole-2-carbohydrazide
SMILESCn1cccc1C(=O)NNS(=O)(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C16H18N4O4S/c1-19-10-2-4-14(19)16(22)17-18-25(23,24)13-8-6-12(7-9-13)20-11-3-5-15(20)21/h2,4,6-10,18H,3,5,11H2,1H3,(H,17,22)
InChIKeyJRYLIESHQFMAQC-UHFFFAOYSA-N
XLogP0.78
TPSA100.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 1-methyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpyrrole-2-carbohydrazide?
The IUPAC name of 1-methyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpyrrole-2-carbohydrazide (CID 18092897) is 1-methyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpyrrole-2-carbohydrazide.
What is the SMILES notation for 1-methyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpyrrole-2-carbohydrazide?
The canonical SMILES for 1-methyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpyrrole-2-carbohydrazide is Cn1cccc1C(=O)NNS(=O)(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 1-methyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpyrrole-2-carbohydrazide?
The InChIKey is JRYLIESHQFMAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4S/c1-19-10-2-4-14(19)16(22)17-18-25(23,24)13-8-6-12(7-9-13)20-11-3-5-15(20)21/h2,4,6-10,18H,3,5,11H2,1H3,(H,17,22).
What are the key properties of 1-methyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpyrrole-2-carbohydrazide?
1-methyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpyrrole-2-carbohydrazide has a molecular weight of 362.41 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpyrrole-2-carbohydrazide is sourced from PubChem (CID 18092897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).