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

C13H9BrCl2N2O2S — CID 57217002

IUPACN-(benzenesulfonyl)-5-bromo-2-chlorobenzenecarbohydrazonoyl chloride
SMILESO=S(=O)(NN=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
InChIKeyGWYHHPOHYPLYPO-UHFFFAOYSA-N
MW408.10 g/mol
LogP3.98
Rot. Bonds4

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

N-(benzenesulfonyl)-5-bromo-2-chlorobenzenecarbohydrazonoyl chloride (PubChem CID 57217002) has the molecular formula C13H9BrCl2N2O2S and a molecular weight of 408.10 g/mol. Its IUPAC name is N-(benzenesulfonyl)-5-bromo-2-chlorobenzenecarbohydrazonoyl chloride.

Molecular Properties

Compound NameN-(benzenesulfonyl)-5-bromo-2-chlorobenzenecarbohydrazonoyl chloride
PubChem CID57217002
Molecular FormulaC13H9BrCl2N2O2S
Molecular Weight408.10 g/mol
Exact Mass405.89
IUPAC NameN-(benzenesulfonyl)-5-bromo-2-chlorobenzenecarbohydrazonoyl chloride
SMILESO=S(=O)(NN=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
InChIKeyGWYHHPOHYPLYPO-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-5-bromo-2-chlorobenzenecarbohydrazonoyl chloride?
The IUPAC name of N-(benzenesulfonyl)-5-bromo-2-chlorobenzenecarbohydrazonoyl chloride (CID 57217002) is N-(benzenesulfonyl)-5-bromo-2-chlorobenzenecarbohydrazonoyl chloride.
What is the SMILES notation for N-(benzenesulfonyl)-5-bromo-2-chlorobenzenecarbohydrazonoyl chloride?
The canonical SMILES for N-(benzenesulfonyl)-5-bromo-2-chlorobenzenecarbohydrazonoyl chloride is O=S(=O)(NN=C(Cl)c1cc(Br)ccc1Cl)c1ccccc1.
What is the InChIKey of N-(benzenesulfonyl)-5-bromo-2-chlorobenzenecarbohydrazonoyl chloride?
The InChIKey is GWYHHPOHYPLYPO-UHFFFAOYSA-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.
What are the key properties of N-(benzenesulfonyl)-5-bromo-2-chlorobenzenecarbohydrazonoyl chloride?
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 N-(benzenesulfonyl)-5-bromo-2-chlorobenzenecarbohydrazonoyl chloride is sourced from PubChem (CID 57217002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).