2,4-dimethyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylbenzohydrazide

C19H21N3O4S — CID 8822934

IUPAC2,4-dimethyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylbenzohydrazide
SMILESCc1ccc(C(=O)NNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c(C)c1
InChIInChI=1S/C19H21N3O4S/c1-13-5-10-17(14(2)12-13)19(24)20-21-27(25,26)16-8-6-15(7-9-16)22-11-3-4-18(22)23/h5-10,12,21H,3-4,11H2,1-2H3,(H,20,24)
InChIKeySFXMLWQDMMEGJV-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.05
Rot. Bonds5

About 2,4-dimethyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylbenzohydrazide

2,4-dimethyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylbenzohydrazide (PubChem CID 8822934) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is 2,4-dimethyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylbenzohydrazide.

Molecular Properties

Compound Name2,4-dimethyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylbenzohydrazide
PubChem CID8822934
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC Name2,4-dimethyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylbenzohydrazide
SMILESCc1ccc(C(=O)NNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c(C)c1
InChIInChI=1S/C19H21N3O4S/c1-13-5-10-17(14(2)12-13)19(24)20-21-27(25,26)16-8-6-15(7-9-16)22-11-3-4-18(22)23/h5-10,12,21H,3-4,11H2,1-2H3,(H,20,24)
InChIKeySFXMLWQDMMEGJV-UHFFFAOYSA-N
XLogP2.05
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylfuran-3-carbohydrazide
CID 8823087
1-methyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylindole-3-carbohydrazide
CID 8823945
5-methyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzoic acid
CID 47784387
N'-(4-fluorophenyl)sulfonyl-2,4-dimethylbenzohydrazide
CID 8504906
N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 24563390
4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 92685963
N'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]-2,4-dimethylbenzohydrazide
CID 9084885
N-(2-chloro-4-methylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8822523
N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 30382255
N'-(4-bromo-3-methylphenyl)sulfonyl-2,4-dimethylbenzohydrazide
CID 8504967
N-(5-acetyl-2-methylphenyl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide
CID 110618410
N-methyl-4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfamoyl]benzamide
CID 26781606

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylbenzohydrazide?
The IUPAC name of 2,4-dimethyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylbenzohydrazide (CID 8822934) is 2,4-dimethyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylbenzohydrazide.
What is the SMILES notation for 2,4-dimethyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylbenzohydrazide?
The canonical SMILES for 2,4-dimethyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylbenzohydrazide is Cc1ccc(C(=O)NNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylbenzohydrazide?
The InChIKey is SFXMLWQDMMEGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-13-5-10-17(14(2)12-13)19(24)20-21-27(25,26)16-8-6-15(7-9-16)22-11-3-4-18(22)23/h5-10,12,21H,3-4,11H2,1-2H3,(H,20,24).
What are the key properties of 2,4-dimethyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylbenzohydrazide?
2,4-dimethyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylbenzohydrazide has a molecular weight of 387.46 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylbenzohydrazide is sourced from PubChem (CID 8822934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).