2-(4-bromophenyl)-N'-(4-ethoxyphenyl)sulfonylacetohydrazide

C16H17BrN2O4S — CID 7478651

IUPAC2-(4-bromophenyl)-N'-(4-ethoxyphenyl)sulfonylacetohydrazide
SMILESCCOc1ccc(S(=O)(=O)NNC(=O)Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C16H17BrN2O4S/c1-2-23-14-7-9-15(10-8-14)24(21,22)19-18-16(20)11-12-3-5-13(17)6-4-12/h3-10,19H,2,11H2,1H3,(H,18,20)
InChIKeyDLHVRPHLUSBLCT-UHFFFAOYSA-N
MW413.29 g/mol
LogP2.40
Rot. Bonds7

About 2-(4-bromophenyl)-N'-(4-ethoxyphenyl)sulfonylacetohydrazide

2-(4-bromophenyl)-N'-(4-ethoxyphenyl)sulfonylacetohydrazide (PubChem CID 7478651) has the molecular formula C16H17BrN2O4S and a molecular weight of 413.29 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N'-(4-ethoxyphenyl)sulfonylacetohydrazide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N'-(4-ethoxyphenyl)sulfonylacetohydrazide
PubChem CID7478651
Molecular FormulaC16H17BrN2O4S
Molecular Weight413.29 g/mol
Exact Mass412.01
IUPAC Name2-(4-bromophenyl)-N'-(4-ethoxyphenyl)sulfonylacetohydrazide
SMILESCCOc1ccc(S(=O)(=O)NNC(=O)Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C16H17BrN2O4S/c1-2-23-14-7-9-15(10-8-14)24(21,22)19-18-16(20)11-12-3-5-13(17)6-4-12/h3-10,19H,2,11H2,1H3,(H,18,20)
InChIKeyDLHVRPHLUSBLCT-UHFFFAOYSA-N
XLogP2.40
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.29
LogP ≤ 52.40
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

N'-(4-ethoxyphenyl)sulfonyl-2-phenylacetohydrazide
CID 7974595
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-2-(4-ethoxyphenyl)acetamide
CID 108573109
1-N',6-N'-bis[(4-ethoxyphenyl)sulfonyl]hexanedihydrazide
CID 3116496
N'-(4-ethoxyphenyl)sulfonyl-2-(2-methoxyphenyl)acetohydrazide
CID 7974521
N'-(4-bromophenyl)sulfonyl-2-(4-cyanophenoxy)acetohydrazide
CID 2420734
N-(4-bromophenyl)-2-(4-ethoxyphenyl)acetamide
CID 8719858
2-(4-bromophenyl)-N-(4-ethoxyphenyl)acetamide
CID 2268503
N-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)acetamide
CID 166208857
3-(3,4-dimethoxyphenyl)-N'-(4-ethoxyphenyl)sulfonylpropanehydrazide
CID 9243942
2-(4-ethylphenoxy)-N'-(4-methylphenyl)sulfonylacetohydrazide
CID 3374893
N'-(4-ethoxyphenyl)sulfonyl-2-phenylsulfanylacetohydrazide
CID 7478638
N'-(4-acetylphenyl)sulfonyl-4-ethoxybenzohydrazide
CID 8617244

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N'-(4-ethoxyphenyl)sulfonylacetohydrazide?
The IUPAC name of 2-(4-bromophenyl)-N'-(4-ethoxyphenyl)sulfonylacetohydrazide (CID 7478651) is 2-(4-bromophenyl)-N'-(4-ethoxyphenyl)sulfonylacetohydrazide.
What is the SMILES notation for 2-(4-bromophenyl)-N'-(4-ethoxyphenyl)sulfonylacetohydrazide?
The canonical SMILES for 2-(4-bromophenyl)-N'-(4-ethoxyphenyl)sulfonylacetohydrazide is CCOc1ccc(S(=O)(=O)NNC(=O)Cc2ccc(Br)cc2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N'-(4-ethoxyphenyl)sulfonylacetohydrazide?
The InChIKey is DLHVRPHLUSBLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O4S/c1-2-23-14-7-9-15(10-8-14)24(21,22)19-18-16(20)11-12-3-5-13(17)6-4-12/h3-10,19H,2,11H2,1H3,(H,18,20).
What are the key properties of 2-(4-bromophenyl)-N'-(4-ethoxyphenyl)sulfonylacetohydrazide?
2-(4-bromophenyl)-N'-(4-ethoxyphenyl)sulfonylacetohydrazide has a molecular weight of 413.29 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N'-(4-ethoxyphenyl)sulfonylacetohydrazide is sourced from PubChem (CID 7478651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).