[2-(3-bromophenyl)sulfanyl-1-(2-chloro-5-fluorophenyl)ethyl]hydrazine

C14H13BrClFN2S — CID 105397876

IUPAC[2-(3-bromophenyl)sulfanyl-1-(2-chloro-5-fluorophenyl)ethyl]hydrazine
SMILESNNC(CSc1cccc(Br)c1)c1cc(F)ccc1Cl
InChIInChI=1S/C14H13BrClFN2S/c15-9-2-1-3-11(6-9)20-8-14(19-18)12-7-10(17)4-5-13(12)16/h1-7,14,19H,8,18H2
InChIKeyVJVXXBDGXKAYIO-UHFFFAOYSA-N
MW375.69 g/mol
LogP4.54
Rot. Bonds5

About [2-(3-bromophenyl)sulfanyl-1-(2-chloro-5-fluorophenyl)ethyl]hydrazine

[2-(3-bromophenyl)sulfanyl-1-(2-chloro-5-fluorophenyl)ethyl]hydrazine (PubChem CID 105397876) has the molecular formula C14H13BrClFN2S and a molecular weight of 375.69 g/mol. Its IUPAC name is [2-(3-bromophenyl)sulfanyl-1-(2-chloro-5-fluorophenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3-bromophenyl)sulfanyl-1-(2-chloro-5-fluorophenyl)ethyl]hydrazine
PubChem CID105397876
Molecular FormulaC14H13BrClFN2S
Molecular Weight375.69 g/mol
Exact Mass373.97
IUPAC Name[2-(3-bromophenyl)sulfanyl-1-(2-chloro-5-fluorophenyl)ethyl]hydrazine
SMILESNNC(CSc1cccc(Br)c1)c1cc(F)ccc1Cl
InChIInChI=1S/C14H13BrClFN2S/c15-9-2-1-3-11(6-9)20-8-14(19-18)12-7-10(17)4-5-13(12)16/h1-7,14,19H,8,18H2
InChIKeyVJVXXBDGXKAYIO-UHFFFAOYSA-N
XLogP4.54
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.69
LogP ≤ 54.54
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-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105238344
2-(3-bromophenyl)sulfanyl-1-(2,5-difluorophenyl)-N-methylethanamine
CID 66159611
[2-(3-bromophenyl)sulfanyl-1-phenylethyl]hydrazine
CID 105238272
[2-(3-bromophenyl)sulfanyl-1-(3,4-difluorophenyl)ethyl]hydrazine
CID 105238376
[1-(2-chloro-5-fluorophenyl)-2-(2-methylphenyl)sulfanylethyl]hydrazine
CID 105397872
[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-dichlorophenyl)ethanamine
CID 66159806
N-[2-(3-bromophenyl)sulfanyl-1-(4-fluorophenyl)ethyl]propan-1-amine
CID 66160810
[2-(3-bromophenyl)sulfanyl-1-(furan-3-yl)ethyl]hydrazine
CID 105238462
2-(3-bromophenyl)sulfanyl-N-ethyl-1-(4-fluorophenyl)ethanamine
CID 66158848
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-phenylsulfanylethanamine
CID 105395026

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromophenyl)sulfanyl-1-(2-chloro-5-fluorophenyl)ethyl]hydrazine?
The IUPAC name of [2-(3-bromophenyl)sulfanyl-1-(2-chloro-5-fluorophenyl)ethyl]hydrazine (CID 105397876) is [2-(3-bromophenyl)sulfanyl-1-(2-chloro-5-fluorophenyl)ethyl]hydrazine.
What is the SMILES notation for [2-(3-bromophenyl)sulfanyl-1-(2-chloro-5-fluorophenyl)ethyl]hydrazine?
The canonical SMILES for [2-(3-bromophenyl)sulfanyl-1-(2-chloro-5-fluorophenyl)ethyl]hydrazine is NNC(CSc1cccc(Br)c1)c1cc(F)ccc1Cl.
What is the InChIKey of [2-(3-bromophenyl)sulfanyl-1-(2-chloro-5-fluorophenyl)ethyl]hydrazine?
The InChIKey is VJVXXBDGXKAYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClFN2S/c15-9-2-1-3-11(6-9)20-8-14(19-18)12-7-10(17)4-5-13(12)16/h1-7,14,19H,8,18H2.
What are the key properties of [2-(3-bromophenyl)sulfanyl-1-(2-chloro-5-fluorophenyl)ethyl]hydrazine?
[2-(3-bromophenyl)sulfanyl-1-(2-chloro-5-fluorophenyl)ethyl]hydrazine has a molecular weight of 375.69 g/mol, XLogP of 4.54, 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-(2-chloro-5-fluorophenyl)ethyl]hydrazine is sourced from PubChem (CID 105397876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).