(1Z)-N-(benzenesulfonyl)-5-bromo-2-chlorobenzenecarbohydrazonoyl chloride

C13H9BrCl2N2O2S — CID 14823477

IUPAC(1Z)-N-(benzenesulfonyl)-5-bromo-2-chlorobenzenecarbohydrazonoyl chloride
SMILESO=S(=O)(N/N=C(\Cl)c1cc(Br)ccc1Cl)c1ccccc1
InChIInChI=1S/C13H9BrCl2N2O2S/c14-9-6-7-12(15)11(8-9)13(16)17-18-21(19,20)10-4-2-1-3-5-10/h1-8,18H/b17-13-
InChIKeyGWYHHPOHYPLYPO-LGMDPLHJSA-N
MW408.10 g/mol
LogP3.98
Rot. Bonds4

About (1Z)-N-(benzenesulfonyl)-5-bromo-2-chlorobenzenecarbohydrazonoyl chloride

(1Z)-N-(benzenesulfonyl)-5-bromo-2-chlorobenzenecarbohydrazonoyl chloride (PubChem CID 14823477) has the molecular formula C13H9BrCl2N2O2S and a molecular weight of 408.10 g/mol. Its IUPAC name is (1Z)-N-(benzenesulfonyl)-5-bromo-2-chlorobenzenecarbohydrazonoyl chloride.

Molecular Properties

Compound Name(1Z)-N-(benzenesulfonyl)-5-bromo-2-chlorobenzenecarbohydrazonoyl chloride
PubChem CID14823477
Molecular FormulaC13H9BrCl2N2O2S
Molecular Weight408.10 g/mol
Exact Mass405.89
IUPAC Name(1Z)-N-(benzenesulfonyl)-5-bromo-2-chlorobenzenecarbohydrazonoyl chloride
SMILESO=S(=O)(N/N=C(\Cl)c1cc(Br)ccc1Cl)c1ccccc1
InChIInChI=1S/C13H9BrCl2N2O2S/c14-9-6-7-12(15)11(8-9)13(16)17-18-21(19,20)10-4-2-1-3-5-10/h1-8,18H/b17-13-
InChIKeyGWYHHPOHYPLYPO-LGMDPLHJSA-N
XLogP3.98
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.10
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (1Z)-N-(benzenesulfonyl)-5-bromo-2-chlorobenzenecarbohydrazonoyl chloride 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 (1Z)-N-(benzenesulfonyl)-5-bromo-2-chlorobenzenecarbohydrazonoyl chloride?
The IUPAC name of (1Z)-N-(benzenesulfonyl)-5-bromo-2-chlorobenzenecarbohydrazonoyl chloride (CID 14823477) is (1Z)-N-(benzenesulfonyl)-5-bromo-2-chlorobenzenecarbohydrazonoyl chloride.
What is the SMILES notation for (1Z)-N-(benzenesulfonyl)-5-bromo-2-chlorobenzenecarbohydrazonoyl chloride?
The canonical SMILES for (1Z)-N-(benzenesulfonyl)-5-bromo-2-chlorobenzenecarbohydrazonoyl chloride is O=S(=O)(N/N=C(\Cl)c1cc(Br)ccc1Cl)c1ccccc1.
What is the InChIKey of (1Z)-N-(benzenesulfonyl)-5-bromo-2-chlorobenzenecarbohydrazonoyl chloride?
The InChIKey is GWYHHPOHYPLYPO-LGMDPLHJSA-N. The full InChI is InChI=1S/C13H9BrCl2N2O2S/c14-9-6-7-12(15)11(8-9)13(16)17-18-21(19,20)10-4-2-1-3-5-10/h1-8,18H/b17-13-.
What are the key properties of (1Z)-N-(benzenesulfonyl)-5-bromo-2-chlorobenzenecarbohydrazonoyl chloride?
(1Z)-N-(benzenesulfonyl)-5-bromo-2-chlorobenzenecarbohydrazonoyl chloride has a molecular weight of 408.10 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-(benzenesulfonyl)-5-bromo-2-chlorobenzenecarbohydrazonoyl chloride is sourced from PubChem (CID 14823477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).