N'-(5-bromo-2-fluorophenyl)sulfonyl-3-ethoxybenzohydrazide

C15H14BrFN2O4S — CID 155558104

IUPACN'-(5-bromo-2-fluorophenyl)sulfonyl-3-ethoxybenzohydrazide
SMILESCCOc1cccc(C(=O)NNS(=O)(=O)c2cc(Br)ccc2F)c1
InChIInChI=1S/C15H14BrFN2O4S/c1-2-23-12-5-3-4-10(8-12)15(20)18-19-24(21,22)14-9-11(16)6-7-13(14)17/h3-9,19H,2H2,1H3,(H,18,20)
InChIKeyNMGXRPUNWOWJGO-UHFFFAOYSA-N
MW417.26 g/mol
LogP2.61
Rot. Bonds6

About N'-(5-bromo-2-fluorophenyl)sulfonyl-3-ethoxybenzohydrazide

N'-(5-bromo-2-fluorophenyl)sulfonyl-3-ethoxybenzohydrazide (PubChem CID 155558104) has the molecular formula C15H14BrFN2O4S and a molecular weight of 417.26 g/mol. Its IUPAC name is N'-(5-bromo-2-fluorophenyl)sulfonyl-3-ethoxybenzohydrazide.

Molecular Properties

Compound NameN'-(5-bromo-2-fluorophenyl)sulfonyl-3-ethoxybenzohydrazide
PubChem CID155558104
Molecular FormulaC15H14BrFN2O4S
Molecular Weight417.26 g/mol
Exact Mass415.98
IUPAC NameN'-(5-bromo-2-fluorophenyl)sulfonyl-3-ethoxybenzohydrazide
SMILESCCOc1cccc(C(=O)NNS(=O)(=O)c2cc(Br)ccc2F)c1
InChIInChI=1S/C15H14BrFN2O4S/c1-2-23-12-5-3-4-10(8-12)15(20)18-19-24(21,22)14-9-11(16)6-7-13(14)17/h3-9,19H,2H2,1H3,(H,18,20)
InChIKeyNMGXRPUNWOWJGO-UHFFFAOYSA-N
XLogP2.61
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.26
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-butoxy-N'-(2-fluorophenyl)sulfonylbenzohydrazide
CID 135298630
3-bromo-N'-(2-fluorophenyl)sulfonylbenzohydrazide
CID 155532167
N'-(4-ethoxyphenyl)sulfonyl-3-(2-methylpropoxy)benzohydrazide
CID 8624005
5-bromo-N'-(4-ethoxybenzoyl)-2-fluorobenzohydrazide
CID 9492712
3-ethoxy-N'-(2-fluoro-4-methylphenyl)sulfonyl-5-methylbenzohydrazide
CID 155511214
N'-(5-bromo-2-methoxyphenyl)sulfonylbenzohydrazide
CID 26966791
(3-acetylphenyl) 5-bromo-2-fluorobenzenesulfonate
CID 52821065
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]phenyl]benzamide
CID 4958088
2,4-dichloro-N'-(3-ethoxybenzoyl)benzohydrazide
CID 4957514
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]ethyl]benzamide
CID 4958095
N-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioyl]-3-ethoxybenzamide
CID 4957810
3-(difluoromethoxy)-N'-(4-ethoxybenzoyl)benzohydrazide
CID 26187379

Frequently Asked Questions

What is the IUPAC name of N'-(5-bromo-2-fluorophenyl)sulfonyl-3-ethoxybenzohydrazide?
The IUPAC name of N'-(5-bromo-2-fluorophenyl)sulfonyl-3-ethoxybenzohydrazide (CID 155558104) is N'-(5-bromo-2-fluorophenyl)sulfonyl-3-ethoxybenzohydrazide.
What is the SMILES notation for N'-(5-bromo-2-fluorophenyl)sulfonyl-3-ethoxybenzohydrazide?
The canonical SMILES for N'-(5-bromo-2-fluorophenyl)sulfonyl-3-ethoxybenzohydrazide is CCOc1cccc(C(=O)NNS(=O)(=O)c2cc(Br)ccc2F)c1.
What is the InChIKey of N'-(5-bromo-2-fluorophenyl)sulfonyl-3-ethoxybenzohydrazide?
The InChIKey is NMGXRPUNWOWJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O4S/c1-2-23-12-5-3-4-10(8-12)15(20)18-19-24(21,22)14-9-11(16)6-7-13(14)17/h3-9,19H,2H2,1H3,(H,18,20).
What are the key properties of N'-(5-bromo-2-fluorophenyl)sulfonyl-3-ethoxybenzohydrazide?
N'-(5-bromo-2-fluorophenyl)sulfonyl-3-ethoxybenzohydrazide has a molecular weight of 417.26 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromo-2-fluorophenyl)sulfonyl-3-ethoxybenzohydrazide is sourced from PubChem (CID 155558104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).