[1-(3-chloro-4-fluorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-yl]hydrazine

C16H18ClFN2S — CID 103043949

IUPAC[1-(3-chloro-4-fluorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-yl]hydrazine
SMILESCc1ccc(SCC(Cc2ccc(F)c(Cl)c2)NN)cc1
InChIInChI=1S/C16H18ClFN2S/c1-11-2-5-14(6-3-11)21-10-13(20-19)8-12-4-7-16(18)15(17)9-12/h2-7,9,13,20H,8,10,19H2,1H3
InChIKeyQDPVWCNAOXWISU-UHFFFAOYSA-N
MW324.85 g/mol
LogP3.95
Rot. Bonds6

About [1-(3-chloro-4-fluorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-yl]hydrazine

[1-(3-chloro-4-fluorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-yl]hydrazine (PubChem CID 103043949) has the molecular formula C16H18ClFN2S and a molecular weight of 324.85 g/mol. Its IUPAC name is [1-(3-chloro-4-fluorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-chloro-4-fluorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-yl]hydrazine
PubChem CID103043949
Molecular FormulaC16H18ClFN2S
Molecular Weight324.85 g/mol
Exact Mass324.09
IUPAC Name[1-(3-chloro-4-fluorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-yl]hydrazine
SMILESCc1ccc(SCC(Cc2ccc(F)c(Cl)c2)NN)cc1
InChIInChI=1S/C16H18ClFN2S/c1-11-2-5-14(6-3-11)21-10-13(20-19)8-12-4-7-16(18)15(17)9-12/h2-7,9,13,20H,8,10,19H2,1H3
InChIKeyQDPVWCNAOXWISU-UHFFFAOYSA-N
XLogP3.95
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 53.95
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-(4-bromophenyl)sulfanyl-3-(3-chloro-4-fluorophenyl)propan-2-yl]hydrazine
CID 103043942
1-(3-chloro-4-fluorophenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 103040177
2-(3-chloro-4-fluorophenyl)-1-(4-methylphenyl)ethanamine
CID 103039768
[1-(3-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropan-2-yl]hydrazine
CID 105237018
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-chlorophenyl)sulfanyl-3-(3-methylphenyl)propan-2-yl]hydrazine
CID 105237861
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
[2-(4-chloro-3-fluorophenyl)-1-(4-methylphenyl)ethyl]hydrazine
CID 114013667
[1-(2,6-dimethylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-yl]hydrazine
CID 105236961
[1-(2-methylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-yl]hydrazine
CID 105236924

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-4-fluorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-yl]hydrazine?
The IUPAC name of [1-(3-chloro-4-fluorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-yl]hydrazine (CID 103043949) is [1-(3-chloro-4-fluorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-chloro-4-fluorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-yl]hydrazine?
The canonical SMILES for [1-(3-chloro-4-fluorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-yl]hydrazine is Cc1ccc(SCC(Cc2ccc(F)c(Cl)c2)NN)cc1.
What is the InChIKey of [1-(3-chloro-4-fluorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-yl]hydrazine?
The InChIKey is QDPVWCNAOXWISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2S/c1-11-2-5-14(6-3-11)21-10-13(20-19)8-12-4-7-16(18)15(17)9-12/h2-7,9,13,20H,8,10,19H2,1H3.
What are the key properties of [1-(3-chloro-4-fluorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-yl]hydrazine?
[1-(3-chloro-4-fluorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-yl]hydrazine has a molecular weight of 324.85 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-4-fluorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-yl]hydrazine is sourced from PubChem (CID 103043949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).