4-(2-oxopyrrolidin-1-yl)-N'-(2,4,6-trichlorophenyl)benzenesulfonohydrazide

C16H14Cl3N3O3S — CID 35971691

IUPAC4-(2-oxopyrrolidin-1-yl)-N'-(2,4,6-trichlorophenyl)benzenesulfonohydrazide
SMILESO=C1CCCN1c1ccc(S(=O)(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H14Cl3N3O3S/c17-10-8-13(18)16(14(19)9-10)20-21-26(24,25)12-5-3-11(4-6-12)22-7-1-2-15(22)23/h3-6,8-9,20-21H,1-2,7H2
InChIKeyBRLYVWBPLYZINL-UHFFFAOYSA-N
MW434.73 g/mol
LogP4.08
Rot. Bonds5

About 4-(2-oxopyrrolidin-1-yl)-N'-(2,4,6-trichlorophenyl)benzenesulfonohydrazide

4-(2-oxopyrrolidin-1-yl)-N'-(2,4,6-trichlorophenyl)benzenesulfonohydrazide (PubChem CID 35971691) has the molecular formula C16H14Cl3N3O3S and a molecular weight of 434.73 g/mol. Its IUPAC name is 4-(2-oxopyrrolidin-1-yl)-N'-(2,4,6-trichlorophenyl)benzenesulfonohydrazide.

Molecular Properties

Compound Name4-(2-oxopyrrolidin-1-yl)-N'-(2,4,6-trichlorophenyl)benzenesulfonohydrazide
PubChem CID35971691
Molecular FormulaC16H14Cl3N3O3S
Molecular Weight434.73 g/mol
Exact Mass432.98
IUPAC Name4-(2-oxopyrrolidin-1-yl)-N'-(2,4,6-trichlorophenyl)benzenesulfonohydrazide
SMILESO=C1CCCN1c1ccc(S(=O)(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H14Cl3N3O3S/c17-10-8-13(18)16(14(19)9-10)20-21-26(24,25)12-5-3-11(4-6-12)22-7-1-2-15(22)23/h3-6,8-9,20-21H,1-2,7H2
InChIKeyBRLYVWBPLYZINL-UHFFFAOYSA-N
XLogP4.08
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.73
LogP ≤ 54.08
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

N-(4-chlorophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8822397
N-(3,4-dichlorophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 614231
4-(2-oxopyrrolidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8823939
N-(2-chloro-4-methylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8822523
2-chloro-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide
CID 35547044
N-(4-chloro-2,5-dimethoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8823558
N-cyclopropyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 22695508
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
N-cyclooctyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 18096700
N-(4-methylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8823223
N-[(2R)-3-methylbutan-2-yl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 41200777
N-(dicyclopropylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 31847318

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N'-(2,4,6-trichlorophenyl)benzenesulfonohydrazide?
The IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N'-(2,4,6-trichlorophenyl)benzenesulfonohydrazide (CID 35971691) is 4-(2-oxopyrrolidin-1-yl)-N'-(2,4,6-trichlorophenyl)benzenesulfonohydrazide.
What is the SMILES notation for 4-(2-oxopyrrolidin-1-yl)-N'-(2,4,6-trichlorophenyl)benzenesulfonohydrazide?
The canonical SMILES for 4-(2-oxopyrrolidin-1-yl)-N'-(2,4,6-trichlorophenyl)benzenesulfonohydrazide is O=C1CCCN1c1ccc(S(=O)(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1.
What is the InChIKey of 4-(2-oxopyrrolidin-1-yl)-N'-(2,4,6-trichlorophenyl)benzenesulfonohydrazide?
The InChIKey is BRLYVWBPLYZINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl3N3O3S/c17-10-8-13(18)16(14(19)9-10)20-21-26(24,25)12-5-3-11(4-6-12)22-7-1-2-15(22)23/h3-6,8-9,20-21H,1-2,7H2.
What are the key properties of 4-(2-oxopyrrolidin-1-yl)-N'-(2,4,6-trichlorophenyl)benzenesulfonohydrazide?
4-(2-oxopyrrolidin-1-yl)-N'-(2,4,6-trichlorophenyl)benzenesulfonohydrazide has a molecular weight of 434.73 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxopyrrolidin-1-yl)-N'-(2,4,6-trichlorophenyl)benzenesulfonohydrazide is sourced from PubChem (CID 35971691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).