N'-(4-bromophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonohydrazide

C16H16BrN3O3S — CID 127026502

IUPACN'-(4-bromophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonohydrazide
SMILESO=C1CCCN1c1ccc(S(=O)(=O)NNc2ccc(Br)cc2)cc1
InChIInChI=1S/C16H16BrN3O3S/c17-12-3-5-13(6-4-12)18-19-24(22,23)15-9-7-14(8-10-15)20-11-1-2-16(20)21/h3-10,18-19H,1-2,11H2
InChIKeyHMCRZUGLEHFNAK-UHFFFAOYSA-N
MW410.29 g/mol
LogP2.88
Rot. Bonds5

About N'-(4-bromophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonohydrazide

N'-(4-bromophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonohydrazide (PubChem CID 127026502) has the molecular formula C16H16BrN3O3S and a molecular weight of 410.29 g/mol. Its IUPAC name is N'-(4-bromophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonohydrazide.

Molecular Properties

Compound NameN'-(4-bromophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonohydrazide
PubChem CID127026502
Molecular FormulaC16H16BrN3O3S
Molecular Weight410.29 g/mol
Exact Mass409.01
IUPAC NameN'-(4-bromophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonohydrazide
SMILESO=C1CCCN1c1ccc(S(=O)(=O)NNc2ccc(Br)cc2)cc1
InChIInChI=1S/C16H16BrN3O3S/c17-12-3-5-13(6-4-12)18-19-24(22,23)15-9-7-14(8-10-15)20-11-1-2-16(20)21/h3-10,18-19H,1-2,11H2
InChIKeyHMCRZUGLEHFNAK-UHFFFAOYSA-N
XLogP2.88
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.29
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(4-bromophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonohydrazide?
The IUPAC name of N'-(4-bromophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonohydrazide (CID 127026502) is N'-(4-bromophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonohydrazide.
What is the SMILES notation for N'-(4-bromophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonohydrazide?
The canonical SMILES for N'-(4-bromophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonohydrazide is O=C1CCCN1c1ccc(S(=O)(=O)NNc2ccc(Br)cc2)cc1.
What is the InChIKey of N'-(4-bromophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonohydrazide?
The InChIKey is HMCRZUGLEHFNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O3S/c17-12-3-5-13(6-4-12)18-19-24(22,23)15-9-7-14(8-10-15)20-11-1-2-16(20)21/h3-10,18-19H,1-2,11H2.
What are the key properties of N'-(4-bromophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonohydrazide?
N'-(4-bromophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonohydrazide has a molecular weight of 410.29 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonohydrazide is sourced from PubChem (CID 127026502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).