[2-(3-bromophenyl)sulfanyl-1-(3,4-difluorophenyl)ethyl]hydrazine

C14H13BrF2N2S — CID 105238376

IUPAC[2-(3-bromophenyl)sulfanyl-1-(3,4-difluorophenyl)ethyl]hydrazine
SMILESNNC(CSc1cccc(Br)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H13BrF2N2S/c15-10-2-1-3-11(7-10)20-8-14(19-18)9-4-5-12(16)13(17)6-9/h1-7,14,19H,8,18H2
InChIKeyLSYOREDNKXMLCV-UHFFFAOYSA-N
MW359.24 g/mol
LogP4.02
Rot. Bonds5

About [2-(3-bromophenyl)sulfanyl-1-(3,4-difluorophenyl)ethyl]hydrazine

[2-(3-bromophenyl)sulfanyl-1-(3,4-difluorophenyl)ethyl]hydrazine (PubChem CID 105238376) has the molecular formula C14H13BrF2N2S and a molecular weight of 359.24 g/mol. Its IUPAC name is [2-(3-bromophenyl)sulfanyl-1-(3,4-difluorophenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3-bromophenyl)sulfanyl-1-(3,4-difluorophenyl)ethyl]hydrazine
PubChem CID105238376
Molecular FormulaC14H13BrF2N2S
Molecular Weight359.24 g/mol
Exact Mass358.00
IUPAC Name[2-(3-bromophenyl)sulfanyl-1-(3,4-difluorophenyl)ethyl]hydrazine
SMILESNNC(CSc1cccc(Br)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H13BrF2N2S/c15-10-2-1-3-11(7-10)20-8-14(19-18)9-4-5-12(16)13(17)6-9/h1-7,14,19H,8,18H2
InChIKeyLSYOREDNKXMLCV-UHFFFAOYSA-N
XLogP4.02
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.24
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-(3-bromophenyl)sulfanyl-1-(3,4-difluorophenyl)-N-methylethanamine
CID 66159033
2-(3-bromophenyl)sulfanyl-1-(3,4-difluorophenyl)ethanamine
CID 66160196
[2-(3-bromophenyl)sulfanyl-1-phenylethyl]hydrazine
CID 105238272
[1-(3,4-difluorophenyl)-2-(4-fluorophenyl)sulfanylethyl]hydrazine
CID 105236679
[2-(3-bromophenyl)sulfanyl-1-(furan-3-yl)ethyl]hydrazine
CID 105238462
[2-(3-bromophenyl)sulfanyl-1-(2-chloro-5-fluorophenyl)ethyl]hydrazine
CID 105397876
[2-(3-bromophenyl)sulfanyl-1-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105238344
[2-(3-chlorophenyl)sulfanyl-1-(4-fluorophenyl)ethyl]hydrazine
CID 105237907
[1-(3-bromophenyl)sulfanyl-3-(2,5-difluorophenyl)propan-2-yl]hydrazine
CID 105238323
2-(3-bromophenyl)sulfanyl-1-(2,5-difluorophenyl)-N-methylethanamine
CID 66159611
[1-(3,4-difluorophenyl)-2-ethylsulfanylethyl]hydrazine
CID 105225349
2-(3-bromophenyl)sulfanyl-N-ethyl-1-(4-fluorophenyl)ethanamine
CID 66158848

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromophenyl)sulfanyl-1-(3,4-difluorophenyl)ethyl]hydrazine?
The IUPAC name of [2-(3-bromophenyl)sulfanyl-1-(3,4-difluorophenyl)ethyl]hydrazine (CID 105238376) is [2-(3-bromophenyl)sulfanyl-1-(3,4-difluorophenyl)ethyl]hydrazine.
What is the SMILES notation for [2-(3-bromophenyl)sulfanyl-1-(3,4-difluorophenyl)ethyl]hydrazine?
The canonical SMILES for [2-(3-bromophenyl)sulfanyl-1-(3,4-difluorophenyl)ethyl]hydrazine is NNC(CSc1cccc(Br)c1)c1ccc(F)c(F)c1.
What is the InChIKey of [2-(3-bromophenyl)sulfanyl-1-(3,4-difluorophenyl)ethyl]hydrazine?
The InChIKey is LSYOREDNKXMLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrF2N2S/c15-10-2-1-3-11(7-10)20-8-14(19-18)9-4-5-12(16)13(17)6-9/h1-7,14,19H,8,18H2.
What are the key properties of [2-(3-bromophenyl)sulfanyl-1-(3,4-difluorophenyl)ethyl]hydrazine?
[2-(3-bromophenyl)sulfanyl-1-(3,4-difluorophenyl)ethyl]hydrazine has a molecular weight of 359.24 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromophenyl)sulfanyl-1-(3,4-difluorophenyl)ethyl]hydrazine is sourced from PubChem (CID 105238376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).