3-bromo-N'-(2-fluorophenyl)sulfonylbenzohydrazide

C13H10BrFN2O3S — CID 155532167

IUPAC3-bromo-N'-(2-fluorophenyl)sulfonylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1F)c1cccc(Br)c1
InChIInChI=1S/C13H10BrFN2O3S/c14-10-5-3-4-9(8-10)13(18)16-17-21(19,20)12-7-2-1-6-11(12)15/h1-8,17H,(H,16,18)
InChIKeyROMNJRYAANGKDE-UHFFFAOYSA-N
MW373.20 g/mol
LogP2.21
Rot. Bonds4

About 3-bromo-N'-(2-fluorophenyl)sulfonylbenzohydrazide

3-bromo-N'-(2-fluorophenyl)sulfonylbenzohydrazide (PubChem CID 155532167) has the molecular formula C13H10BrFN2O3S and a molecular weight of 373.20 g/mol. Its IUPAC name is 3-bromo-N'-(2-fluorophenyl)sulfonylbenzohydrazide.

Molecular Properties

Compound Name3-bromo-N'-(2-fluorophenyl)sulfonylbenzohydrazide
PubChem CID155532167
Molecular FormulaC13H10BrFN2O3S
Molecular Weight373.20 g/mol
Exact Mass371.96
IUPAC Name3-bromo-N'-(2-fluorophenyl)sulfonylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1F)c1cccc(Br)c1
InChIInChI=1S/C13H10BrFN2O3S/c14-10-5-3-4-9(8-10)13(18)16-17-21(19,20)12-7-2-1-6-11(12)15/h1-8,17H,(H,16,18)
InChIKeyROMNJRYAANGKDE-UHFFFAOYSA-N
XLogP2.21
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.20
LogP ≤ 52.21
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'-(benzenesulfonyl)-3-bromobenzohydrazide
CID 1035450
N'-(2-fluorophenyl)sulfonyl-3-thiophen-3-ylbenzohydrazide
CID 135298604
N'-(5-bromo-2-fluorophenyl)sulfonyl-3-ethoxybenzohydrazide
CID 155558104
3-butoxy-N'-(2-fluorophenyl)sulfonylbenzohydrazide
CID 135298630
N-[4-[[(3-bromobenzoyl)amino]sulfamoyl]phenyl]acetamide
CID 1272823
3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-pyridin-2-ylbenzohydrazide
CID 133080719
N'-(2-fluorophenyl)sulfonyl-2-methylpropanehydrazide
CID 17394762
N-(3-bromophenyl)-2-fluorobenzenesulfonamide
CID 4788445
3-chloro-N'-(2,5-dichlorophenyl)sulfonylbenzohydrazide
CID 8616581
N'-(2-fluorophenyl)sulfonyl-3-methoxy-5-propan-2-yloxybenzohydrazide
CID 135298667
N'-(5-bromo-2-methoxyphenyl)sulfonylbenzohydrazide
CID 26966791
2-fluoro-5-(4-fluorophenyl)-N'-(2-fluorophenyl)sulfonylbenzohydrazide
CID 155926750

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N'-(2-fluorophenyl)sulfonylbenzohydrazide?
The IUPAC name of 3-bromo-N'-(2-fluorophenyl)sulfonylbenzohydrazide (CID 155532167) is 3-bromo-N'-(2-fluorophenyl)sulfonylbenzohydrazide.
What is the SMILES notation for 3-bromo-N'-(2-fluorophenyl)sulfonylbenzohydrazide?
The canonical SMILES for 3-bromo-N'-(2-fluorophenyl)sulfonylbenzohydrazide is O=C(NNS(=O)(=O)c1ccccc1F)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N'-(2-fluorophenyl)sulfonylbenzohydrazide?
The InChIKey is ROMNJRYAANGKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2O3S/c14-10-5-3-4-9(8-10)13(18)16-17-21(19,20)12-7-2-1-6-11(12)15/h1-8,17H,(H,16,18).
What are the key properties of 3-bromo-N'-(2-fluorophenyl)sulfonylbenzohydrazide?
3-bromo-N'-(2-fluorophenyl)sulfonylbenzohydrazide has a molecular weight of 373.20 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N'-(2-fluorophenyl)sulfonylbenzohydrazide is sourced from PubChem (CID 155532167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).