[1-(4-bromo-2-chlorophenyl)-3-methylsulfonylpropyl]hydrazine

C10H14BrClN2O2S — CID 114985187

IUPAC[1-(4-bromo-2-chlorophenyl)-3-methylsulfonylpropyl]hydrazine
SMILESCS(=O)(=O)CCC(NN)c1ccc(Br)cc1Cl
InChIInChI=1S/C10H14BrClN2O2S/c1-17(15,16)5-4-10(14-13)8-3-2-7(11)6-9(8)12/h2-3,6,10,14H,4-5,13H2,1H3
InChIKeyIPHZFALMGXVUHJ-UHFFFAOYSA-N
MW341.66 g/mol
LogP2.04
Rot. Bonds5

About [1-(4-bromo-2-chlorophenyl)-3-methylsulfonylpropyl]hydrazine

[1-(4-bromo-2-chlorophenyl)-3-methylsulfonylpropyl]hydrazine (PubChem CID 114985187) has the molecular formula C10H14BrClN2O2S and a molecular weight of 341.66 g/mol. Its IUPAC name is [1-(4-bromo-2-chlorophenyl)-3-methylsulfonylpropyl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-2-chlorophenyl)-3-methylsulfonylpropyl]hydrazine
PubChem CID114985187
Molecular FormulaC10H14BrClN2O2S
Molecular Weight341.66 g/mol
Exact Mass339.96
IUPAC Name[1-(4-bromo-2-chlorophenyl)-3-methylsulfonylpropyl]hydrazine
SMILESCS(=O)(=O)CCC(NN)c1ccc(Br)cc1Cl
InChIInChI=1S/C10H14BrClN2O2S/c1-17(15,16)5-4-10(14-13)8-3-2-7(11)6-9(8)12/h2-3,6,10,14H,4-5,13H2,1H3
InChIKeyIPHZFALMGXVUHJ-UHFFFAOYSA-N
XLogP2.04
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.66
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-bromo-2-chlorophenyl)-4,4,4-trifluorobutyl]hydrazine
CID 105313950
1-(4-bromo-2-chlorophenyl)-N-(2-methylsulfonylethyl)ethanamine
CID 82773613
1-(4-bromo-2-chlorophenyl)but-3-enylhydrazine
CID 105289666
1-(2-chloro-4-fluorophenyl)-N-methyl-3-methylsulfonylpropan-1-amine
CID 55152422
1-(5-bromo-2-chlorophenyl)-4-methylsulfonylbutan-1-ol
CID 115780199
1-(5-bromo-2-chlorophenyl)-4-methylsulfonylbutan-1-amine
CID 115820284
[1-(2,5-dimethylphenyl)-3-methylsulfonylpropyl]hydrazine
CID 114985081
[1-(4-bromo-2-chlorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105340398
[1-(4-bromo-2-chlorophenyl)-2-(3,4-dichlorophenyl)ethyl]hydrazine
CID 105296864
[1-(2-fluorophenyl)-3-methylsulfonylpropyl]hydrazine
CID 114984642
[1-(5-bromo-3-pyridinyl)-3-methylsulfonylpropyl]hydrazine
CID 114984828
[1-(2,4-dimethylphenyl)-4-methylsulfonylbutyl]hydrazine
CID 105290842

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-2-chlorophenyl)-3-methylsulfonylpropyl]hydrazine?
The IUPAC name of [1-(4-bromo-2-chlorophenyl)-3-methylsulfonylpropyl]hydrazine (CID 114985187) is [1-(4-bromo-2-chlorophenyl)-3-methylsulfonylpropyl]hydrazine.
What is the SMILES notation for [1-(4-bromo-2-chlorophenyl)-3-methylsulfonylpropyl]hydrazine?
The canonical SMILES for [1-(4-bromo-2-chlorophenyl)-3-methylsulfonylpropyl]hydrazine is CS(=O)(=O)CCC(NN)c1ccc(Br)cc1Cl.
What is the InChIKey of [1-(4-bromo-2-chlorophenyl)-3-methylsulfonylpropyl]hydrazine?
The InChIKey is IPHZFALMGXVUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrClN2O2S/c1-17(15,16)5-4-10(14-13)8-3-2-7(11)6-9(8)12/h2-3,6,10,14H,4-5,13H2,1H3.
What are the key properties of [1-(4-bromo-2-chlorophenyl)-3-methylsulfonylpropyl]hydrazine?
[1-(4-bromo-2-chlorophenyl)-3-methylsulfonylpropyl]hydrazine has a molecular weight of 341.66 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-2-chlorophenyl)-3-methylsulfonylpropyl]hydrazine is sourced from PubChem (CID 114985187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).