[1-(3-bromo-4-methoxyphenyl)-3-methylsulfonylpropyl]hydrazine

C11H17BrN2O3S — CID 114985195

IUPAC[1-(3-bromo-4-methoxyphenyl)-3-methylsulfonylpropyl]hydrazine
SMILESCOc1ccc(C(CCS(C)(=O)=O)NN)cc1Br
InChIInChI=1S/C11H17BrN2O3S/c1-17-11-4-3-8(7-9(11)12)10(14-13)5-6-18(2,15)16/h3-4,7,10,14H,5-6,13H2,1-2H3
InChIKeyCUZUBJAZSPFEBR-UHFFFAOYSA-N
MW337.24 g/mol
LogP1.40
Rot. Bonds6

About [1-(3-bromo-4-methoxyphenyl)-3-methylsulfonylpropyl]hydrazine

[1-(3-bromo-4-methoxyphenyl)-3-methylsulfonylpropyl]hydrazine (PubChem CID 114985195) has the molecular formula C11H17BrN2O3S and a molecular weight of 337.24 g/mol. Its IUPAC name is [1-(3-bromo-4-methoxyphenyl)-3-methylsulfonylpropyl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromo-4-methoxyphenyl)-3-methylsulfonylpropyl]hydrazine
PubChem CID114985195
Molecular FormulaC11H17BrN2O3S
Molecular Weight337.24 g/mol
Exact Mass336.01
IUPAC Name[1-(3-bromo-4-methoxyphenyl)-3-methylsulfonylpropyl]hydrazine
SMILESCOc1ccc(C(CCS(C)(=O)=O)NN)cc1Br
InChIInChI=1S/C11H17BrN2O3S/c1-17-11-4-3-8(7-9(11)12)10(14-13)5-6-18(2,15)16/h3-4,7,10,14H,5-6,13H2,1-2H3
InChIKeyCUZUBJAZSPFEBR-UHFFFAOYSA-N
XLogP1.40
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[1-(3-bromo-4-methoxyphenyl)-3-cyclopropylpropyl]hydrazine
CID 105315194
[1-(3-bromo-4-methoxyphenyl)-3-thiophen-2-ylpropyl]hydrazine
CID 105308969
[1-(3,4-dimethoxyphenyl)-2-methylsulfonylethyl]hydrazine
CID 105301180
[1-(3-bromo-4-methoxyphenyl)-3-methylpentyl]hydrazine
CID 105298627
[1-(3-bromo-4-methoxyphenyl)-2-(2,6-dimethylphenyl)ethyl]hydrazine
CID 105329211
[1-(3-bromo-4-methoxyphenyl)-2-(2-bromophenyl)ethyl]hydrazine
CID 105283965
[1-(3-bromo-4-methoxyphenyl)-2-(2,6-dichlorophenyl)ethyl]hydrazine
CID 105293177
[1-(3-bromo-4-methoxyphenyl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine
CID 103026148
1-(3-bromo-4-methoxyphenyl)ethylhydrazine
CID 82478801
[1-(3,4-dimethylphenyl)-4-methylsulfonylbutyl]hydrazine
CID 105290819
[1-(3-bromo-4-methoxyphenyl)-2-(2,5-difluorophenyl)ethyl]hydrazine
CID 105288951
1-(3,4-dimethoxyphenyl)-3-methylsulfonylpropan-1-ol
CID 55095988

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-4-methoxyphenyl)-3-methylsulfonylpropyl]hydrazine?
The IUPAC name of [1-(3-bromo-4-methoxyphenyl)-3-methylsulfonylpropyl]hydrazine (CID 114985195) is [1-(3-bromo-4-methoxyphenyl)-3-methylsulfonylpropyl]hydrazine.
What is the SMILES notation for [1-(3-bromo-4-methoxyphenyl)-3-methylsulfonylpropyl]hydrazine?
The canonical SMILES for [1-(3-bromo-4-methoxyphenyl)-3-methylsulfonylpropyl]hydrazine is COc1ccc(C(CCS(C)(=O)=O)NN)cc1Br.
What is the InChIKey of [1-(3-bromo-4-methoxyphenyl)-3-methylsulfonylpropyl]hydrazine?
The InChIKey is CUZUBJAZSPFEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O3S/c1-17-11-4-3-8(7-9(11)12)10(14-13)5-6-18(2,15)16/h3-4,7,10,14H,5-6,13H2,1-2H3.
What are the key properties of [1-(3-bromo-4-methoxyphenyl)-3-methylsulfonylpropyl]hydrazine?
[1-(3-bromo-4-methoxyphenyl)-3-methylsulfonylpropyl]hydrazine has a molecular weight of 337.24 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-4-methoxyphenyl)-3-methylsulfonylpropyl]hydrazine is sourced from PubChem (CID 114985195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).