N'-(benzenesulfonyl)-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide

C18H15BrN2O4S — CID 3387456

IUPACN'-(benzenesulfonyl)-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide
SMILESO=C(COc1ccc2ccccc2c1Br)NNS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H15BrN2O4S/c19-18-15-9-5-4-6-13(15)10-11-16(18)25-12-17(22)20-21-26(23,24)14-7-2-1-3-8-14/h1-11,21H,12H2,(H,20,22)
InChIKeyGGAJHXTWGFBCME-UHFFFAOYSA-N
MW435.30 g/mol
LogP2.99
Rot. Bonds6

About N'-(benzenesulfonyl)-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide

N'-(benzenesulfonyl)-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide (PubChem CID 3387456) has the molecular formula C18H15BrN2O4S and a molecular weight of 435.30 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide
PubChem CID3387456
Molecular FormulaC18H15BrN2O4S
Molecular Weight435.30 g/mol
Exact Mass433.99
IUPAC NameN'-(benzenesulfonyl)-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide
SMILESO=C(COc1ccc2ccccc2c1Br)NNS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H15BrN2O4S/c19-18-15-9-5-4-6-13(15)10-11-16(18)25-12-17(22)20-21-26(23,24)14-7-2-1-3-8-14/h1-11,21H,12H2,(H,20,22)
InChIKeyGGAJHXTWGFBCME-UHFFFAOYSA-N
XLogP2.99
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.30
LogP ≤ 52.99
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

methyl 3-[2-[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinyl]-3-oxopropanoate
CID 28638196
2-(1-bromonaphthalen-2-yl)oxy-N-(4-sulfamoylphenyl)acetamide
CID 1186575
N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,2,2-trifluoroacetohydrazide
CID 3955420
N-(2-acetamidophenyl)-2-(1-bromonaphthalen-2-yl)oxyacetamide
CID 1300372
2-(1-bromonaphthalen-2-yl)oxy-N-(4-ethylsulfonylphenyl)acetamide
CID 37027688
2-(1-bromonaphthalen-2-yl)oxy-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]acetamide
CID 37252608
methyl 2-(1-bromonaphthalen-2-yl)oxyacetate
CID 4779140
N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide
CID 17096541
N'-(benzenesulfonyl)-2-(4-methoxyphenoxy)acetohydrazide
CID 917648
2-(1-bromonaphthalen-2-yl)oxy-N-(2-methylpropyl)acetamide
CID 7642347
2-(1-bromonaphthalen-2-yl)oxy-N-(4-chlorophenyl)acetamide
CID 1010815
2-(1-bromonaphthalen-2-yl)oxy-N-(2-chlorophenyl)acetamide
CID 1010729

Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide?
The IUPAC name of N'-(benzenesulfonyl)-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide (CID 3387456) is N'-(benzenesulfonyl)-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide.
What is the SMILES notation for N'-(benzenesulfonyl)-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide?
The canonical SMILES for N'-(benzenesulfonyl)-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide is O=C(COc1ccc2ccccc2c1Br)NNS(=O)(=O)c1ccccc1.
What is the InChIKey of N'-(benzenesulfonyl)-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide?
The InChIKey is GGAJHXTWGFBCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O4S/c19-18-15-9-5-4-6-13(15)10-11-16(18)25-12-17(22)20-21-26(23,24)14-7-2-1-3-8-14/h1-11,21H,12H2,(H,20,22).
What are the key properties of N'-(benzenesulfonyl)-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide?
N'-(benzenesulfonyl)-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide has a molecular weight of 435.30 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide is sourced from PubChem (CID 3387456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).