N'-(4-bromophenyl)benzenesulfonohydrazide

C12H11BrN2O2S — CID 3325609

IUPACN'-(4-bromophenyl)benzenesulfonohydrazide
SMILESO=S(=O)(NNc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C12H11BrN2O2S/c13-10-6-8-11(9-7-10)14-15-18(16,17)12-4-2-1-3-5-12/h1-9,14-15H
InChIKeyRKBFGGAELMSVGA-UHFFFAOYSA-N
MW327.20 g/mol
LogP2.75
Rot. Bonds4

About N'-(4-bromophenyl)benzenesulfonohydrazide

N'-(4-bromophenyl)benzenesulfonohydrazide (PubChem CID 3325609) has the molecular formula C12H11BrN2O2S and a molecular weight of 327.20 g/mol. Its IUPAC name is N'-(4-bromophenyl)benzenesulfonohydrazide.

Molecular Properties

Compound NameN'-(4-bromophenyl)benzenesulfonohydrazide
PubChem CID3325609
Molecular FormulaC12H11BrN2O2S
Molecular Weight327.20 g/mol
Exact Mass325.97
IUPAC NameN'-(4-bromophenyl)benzenesulfonohydrazide
SMILESO=S(=O)(NNc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C12H11BrN2O2S/c13-10-6-8-11(9-7-10)14-15-18(16,17)12-4-2-1-3-5-12/h1-9,14-15H
InChIKeyRKBFGGAELMSVGA-UHFFFAOYSA-N
XLogP2.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.20
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(4-bromophenyl)benzenesulfonohydrazide?
The IUPAC name of N'-(4-bromophenyl)benzenesulfonohydrazide (CID 3325609) is N'-(4-bromophenyl)benzenesulfonohydrazide.
What is the SMILES notation for N'-(4-bromophenyl)benzenesulfonohydrazide?
The canonical SMILES for N'-(4-bromophenyl)benzenesulfonohydrazide is O=S(=O)(NNc1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of N'-(4-bromophenyl)benzenesulfonohydrazide?
The InChIKey is RKBFGGAELMSVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2S/c13-10-6-8-11(9-7-10)14-15-18(16,17)12-4-2-1-3-5-12/h1-9,14-15H.
What are the key properties of N'-(4-bromophenyl)benzenesulfonohydrazide?
N'-(4-bromophenyl)benzenesulfonohydrazide has a molecular weight of 327.20 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromophenyl)benzenesulfonohydrazide is sourced from PubChem (CID 3325609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).