[1-(4-bromo-3-chloro-2-fluorophenyl)-2-methyl-2-methylsulfonylpropyl]hydrazine

C11H15BrClFN2O2S — CID 106765598

IUPAC[1-(4-bromo-3-chloro-2-fluorophenyl)-2-methyl-2-methylsulfonylpropyl]hydrazine
SMILESCC(C)(C(NN)c1ccc(Br)c(Cl)c1F)S(C)(=O)=O
InChIInChI=1S/C11H15BrClFN2O2S/c1-11(2,19(3,17)18)10(16-15)6-4-5-7(12)8(13)9(6)14/h4-5,10,16H,15H2,1-3H3
InChIKeyAKRXJIPQFVDMMT-UHFFFAOYSA-N
MW373.68 g/mol
LogP2.57
Rot. Bonds4

About [1-(4-bromo-3-chloro-2-fluorophenyl)-2-methyl-2-methylsulfonylpropyl]hydrazine

[1-(4-bromo-3-chloro-2-fluorophenyl)-2-methyl-2-methylsulfonylpropyl]hydrazine (PubChem CID 106765598) has the molecular formula C11H15BrClFN2O2S and a molecular weight of 373.68 g/mol. Its IUPAC name is [1-(4-bromo-3-chloro-2-fluorophenyl)-2-methyl-2-methylsulfonylpropyl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-3-chloro-2-fluorophenyl)-2-methyl-2-methylsulfonylpropyl]hydrazine
PubChem CID106765598
Molecular FormulaC11H15BrClFN2O2S
Molecular Weight373.68 g/mol
Exact Mass371.97
IUPAC Name[1-(4-bromo-3-chloro-2-fluorophenyl)-2-methyl-2-methylsulfonylpropyl]hydrazine
SMILESCC(C)(C(NN)c1ccc(Br)c(Cl)c1F)S(C)(=O)=O
InChIInChI=1S/C11H15BrClFN2O2S/c1-11(2,19(3,17)18)10(16-15)6-4-5-7(12)8(13)9(6)14/h4-5,10,16H,15H2,1-3H3
InChIKeyAKRXJIPQFVDMMT-UHFFFAOYSA-N
XLogP2.57
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.68
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromo-3-chloro-2-fluorophenyl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 106764707
[1-(2,5-dichlorophenyl)-2-methyl-2-methylsulfonylpropyl]hydrazine
CID 105302110
1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylsulfonylethanol
CID 106765069
[1-(3-fluoro-4-pyridinyl)-2-methyl-2-methylsulfonylpropyl]hydrazine
CID 105335480
[(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methylphenyl)methyl]hydrazine
CID 106765528
[(4-bromo-3-chloro-2-fluorophenyl)-(2-ethylphenyl)methyl]hydrazine
CID 106765526
1-(4-bromo-3-chloro-2-fluorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine
CID 106762696
[1-(4-bromo-3-chloro-2-fluorophenyl)-2-ethylbutyl]hydrazine
CID 106765455
[(4-bromo-3-chloro-2-fluorophenyl)-(5-chloro-2-fluorophenyl)methyl]hydrazine
CID 106765419
[(4-bromo-3-chloro-2-fluorophenyl)-(2-fluorophenyl)methyl]hydrazine
CID 106765249
[1-(4-bromo-3-chloro-2-fluorophenyl)-2,2-dimethoxyethyl]hydrazine
CID 106765325
[(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-4-chlorophenyl)methyl]hydrazine
CID 107997423

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-3-chloro-2-fluorophenyl)-2-methyl-2-methylsulfonylpropyl]hydrazine?
The IUPAC name of [1-(4-bromo-3-chloro-2-fluorophenyl)-2-methyl-2-methylsulfonylpropyl]hydrazine (CID 106765598) is [1-(4-bromo-3-chloro-2-fluorophenyl)-2-methyl-2-methylsulfonylpropyl]hydrazine.
What is the SMILES notation for [1-(4-bromo-3-chloro-2-fluorophenyl)-2-methyl-2-methylsulfonylpropyl]hydrazine?
The canonical SMILES for [1-(4-bromo-3-chloro-2-fluorophenyl)-2-methyl-2-methylsulfonylpropyl]hydrazine is CC(C)(C(NN)c1ccc(Br)c(Cl)c1F)S(C)(=O)=O.
What is the InChIKey of [1-(4-bromo-3-chloro-2-fluorophenyl)-2-methyl-2-methylsulfonylpropyl]hydrazine?
The InChIKey is AKRXJIPQFVDMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClFN2O2S/c1-11(2,19(3,17)18)10(16-15)6-4-5-7(12)8(13)9(6)14/h4-5,10,16H,15H2,1-3H3.
What are the key properties of [1-(4-bromo-3-chloro-2-fluorophenyl)-2-methyl-2-methylsulfonylpropyl]hydrazine?
[1-(4-bromo-3-chloro-2-fluorophenyl)-2-methyl-2-methylsulfonylpropyl]hydrazine has a molecular weight of 373.68 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-3-chloro-2-fluorophenyl)-2-methyl-2-methylsulfonylpropyl]hydrazine is sourced from PubChem (CID 106765598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).