N'-(benzenesulfonyl)-3-bromobenzohydrazide

C13H11BrN2O3S — CID 1035450

IUPACN'-(benzenesulfonyl)-3-bromobenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C13H11BrN2O3S/c14-11-6-4-5-10(9-11)13(17)15-16-20(18,19)12-7-2-1-3-8-12/h1-9,16H,(H,15,17)
InChIKeyWEDWBBJLDMRXGZ-UHFFFAOYSA-N
MW355.21 g/mol
LogP2.07
Rot. Bonds4

About N'-(benzenesulfonyl)-3-bromobenzohydrazide

N'-(benzenesulfonyl)-3-bromobenzohydrazide (PubChem CID 1035450) has the molecular formula C13H11BrN2O3S and a molecular weight of 355.21 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-3-bromobenzohydrazide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-3-bromobenzohydrazide
PubChem CID1035450
Molecular FormulaC13H11BrN2O3S
Molecular Weight355.21 g/mol
Exact Mass353.97
IUPAC NameN'-(benzenesulfonyl)-3-bromobenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C13H11BrN2O3S/c14-11-6-4-5-10(9-11)13(17)15-16-20(18,19)12-7-2-1-3-8-12/h1-9,16H,(H,15,17)
InChIKeyWEDWBBJLDMRXGZ-UHFFFAOYSA-N
XLogP2.07
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.21
LogP ≤ 52.07
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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Related Compounds

N-[4-[[(3-bromobenzoyl)amino]sulfamoyl]phenyl]acetamide
CID 1272823
sodium N'-(benzenesulfonyl)benzohydrazide
CID 54612136
3-bromo-N'-(2-fluorophenyl)sulfonylbenzohydrazide
CID 155532167
N-[2-(benzenesulfonamido)ethyl]-3-bromobenzamide
CID 108571471
N'-(benzenesulfonyl)naphthalene-2-carbohydrazide
CID 91444236
N-benzoyl-3-bromobenzamide
CID 118577200
N'-(benzenesulfonyl)-2-ethylpyridine-4-carbohydrazide
CID 165352501
N'-(benzenesulfonyl)-4-(2-phenylethynyl)benzohydrazide
CID 10172619
3-(benzamidocarbamoyl)-N-(4-bromophenyl)benzenesulfonamide
CID 27555836
N'-(benzenesulfonyl)-4-methoxybenzohydrazide
CID 795528
N'-(5-bromo-2-methoxyphenyl)sulfonylbenzohydrazide
CID 26966791
3-bromo-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219664

Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-3-bromobenzohydrazide?
The IUPAC name of N'-(benzenesulfonyl)-3-bromobenzohydrazide (CID 1035450) is N'-(benzenesulfonyl)-3-bromobenzohydrazide.
What is the SMILES notation for N'-(benzenesulfonyl)-3-bromobenzohydrazide?
The canonical SMILES for N'-(benzenesulfonyl)-3-bromobenzohydrazide is O=C(NNS(=O)(=O)c1ccccc1)c1cccc(Br)c1.
What is the InChIKey of N'-(benzenesulfonyl)-3-bromobenzohydrazide?
The InChIKey is WEDWBBJLDMRXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O3S/c14-11-6-4-5-10(9-11)13(17)15-16-20(18,19)12-7-2-1-3-8-12/h1-9,16H,(H,15,17).
What are the key properties of N'-(benzenesulfonyl)-3-bromobenzohydrazide?
N'-(benzenesulfonyl)-3-bromobenzohydrazide has a molecular weight of 355.21 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-3-bromobenzohydrazide is sourced from PubChem (CID 1035450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).