[1-(4-bromophenyl)sulfanyl-3-(3-chloro-4-fluorophenyl)propan-2-yl]hydrazine

C15H15BrClFN2S — CID 103043942

IUPAC[1-(4-bromophenyl)sulfanyl-3-(3-chloro-4-fluorophenyl)propan-2-yl]hydrazine
SMILESNNC(CSc1ccc(Br)cc1)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H15BrClFN2S/c16-11-2-4-13(5-3-11)21-9-12(20-19)7-10-1-6-15(18)14(17)8-10/h1-6,8,12,20H,7,9,19H2
InChIKeyGTXUGKBQINRKQF-UHFFFAOYSA-N
MW389.72 g/mol
LogP4.41
Rot. Bonds6

About [1-(4-bromophenyl)sulfanyl-3-(3-chloro-4-fluorophenyl)propan-2-yl]hydrazine

[1-(4-bromophenyl)sulfanyl-3-(3-chloro-4-fluorophenyl)propan-2-yl]hydrazine (PubChem CID 103043942) has the molecular formula C15H15BrClFN2S and a molecular weight of 389.72 g/mol. Its IUPAC name is [1-(4-bromophenyl)sulfanyl-3-(3-chloro-4-fluorophenyl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromophenyl)sulfanyl-3-(3-chloro-4-fluorophenyl)propan-2-yl]hydrazine
PubChem CID103043942
Molecular FormulaC15H15BrClFN2S
Molecular Weight389.72 g/mol
Exact Mass387.98
IUPAC Name[1-(4-bromophenyl)sulfanyl-3-(3-chloro-4-fluorophenyl)propan-2-yl]hydrazine
SMILESNNC(CSc1ccc(Br)cc1)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H15BrClFN2S/c16-11-2-4-13(5-3-11)21-9-12(20-19)7-10-1-6-15(18)14(17)8-10/h1-6,8,12,20H,7,9,19H2
InChIKeyGTXUGKBQINRKQF-UHFFFAOYSA-N
XLogP4.41
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.72
LogP ≤ 54.41
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

[1-(3-chloro-4-fluorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-yl]hydrazine
CID 103043949
1-(4-bromophenyl)sulfanyl-3-(3-chloro-4-fluorophenyl)propan-2-ol
CID 103039620
[1-(5-bromo-2-fluorophenyl)-2-(3-chloro-4-fluorophenyl)ethyl]hydrazine
CID 103044137
[1-(4-bromophenyl)-3-(5-chloro-2-fluorophenyl)propan-2-yl]hydrazine
CID 103053500
1-(4-chlorophenyl)sulfanyl-3-(3,4-difluorophenyl)-N-methylpropan-2-amine
CID 82909676
1-(3-chloro-4-fluorophenyl)heptan-2-ylhydrazine
CID 103044391
[1-(3-bromo-4-fluorophenyl)-3-(4-chlorophenyl)propan-2-yl]hydrazine
CID 105197541
[1-(4-bromo-3-fluorophenyl)-2-(3-chloro-4-fluorophenyl)ethyl]hydrazine
CID 103044284
1-(4-chloro-3-fluorophenyl)-3-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 107884855
1-(3-chloro-4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 103039975
1-(4-bromophenyl)sulfanyl-3-(2,4-dichlorophenyl)propan-2-amine
CID 66057272
[1-(4-bromophenyl)sulfanyl-3-(2,5-dimethylphenyl)propan-2-yl]hydrazine
CID 105235891

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromophenyl)sulfanyl-3-(3-chloro-4-fluorophenyl)propan-2-yl]hydrazine?
The IUPAC name of [1-(4-bromophenyl)sulfanyl-3-(3-chloro-4-fluorophenyl)propan-2-yl]hydrazine (CID 103043942) is [1-(4-bromophenyl)sulfanyl-3-(3-chloro-4-fluorophenyl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(4-bromophenyl)sulfanyl-3-(3-chloro-4-fluorophenyl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(4-bromophenyl)sulfanyl-3-(3-chloro-4-fluorophenyl)propan-2-yl]hydrazine is NNC(CSc1ccc(Br)cc1)Cc1ccc(F)c(Cl)c1.
What is the InChIKey of [1-(4-bromophenyl)sulfanyl-3-(3-chloro-4-fluorophenyl)propan-2-yl]hydrazine?
The InChIKey is GTXUGKBQINRKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClFN2S/c16-11-2-4-13(5-3-11)21-9-12(20-19)7-10-1-6-15(18)14(17)8-10/h1-6,8,12,20H,7,9,19H2.
What are the key properties of [1-(4-bromophenyl)sulfanyl-3-(3-chloro-4-fluorophenyl)propan-2-yl]hydrazine?
[1-(4-bromophenyl)sulfanyl-3-(3-chloro-4-fluorophenyl)propan-2-yl]hydrazine has a molecular weight of 389.72 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromophenyl)sulfanyl-3-(3-chloro-4-fluorophenyl)propan-2-yl]hydrazine is sourced from PubChem (CID 103043942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).