[(5-chloro-2-methoxyphenyl)-(1,1-dioxothian-2-yl)methyl]hydrazine

C13H19ClN2O3S — CID 105300920

IUPAC[(5-chloro-2-methoxyphenyl)-(1,1-dioxothian-2-yl)methyl]hydrazine
SMILESCOc1ccc(Cl)cc1C(NN)C1CCCCS1(=O)=O
InChIInChI=1S/C13H19ClN2O3S/c1-19-11-6-5-9(14)8-10(11)13(16-15)12-4-2-3-7-20(12,17)18/h5-6,8,12-13,16H,2-4,7,15H2,1H3
InChIKeyZMAGWZWNHKYNCR-UHFFFAOYSA-N
MW318.83 g/mol
LogP1.82
Rot. Bonds4

About [(5-chloro-2-methoxyphenyl)-(1,1-dioxothian-2-yl)methyl]hydrazine

[(5-chloro-2-methoxyphenyl)-(1,1-dioxothian-2-yl)methyl]hydrazine (PubChem CID 105300920) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is [(5-chloro-2-methoxyphenyl)-(1,1-dioxothian-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(5-chloro-2-methoxyphenyl)-(1,1-dioxothian-2-yl)methyl]hydrazine
PubChem CID105300920
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name[(5-chloro-2-methoxyphenyl)-(1,1-dioxothian-2-yl)methyl]hydrazine
SMILESCOc1ccc(Cl)cc1C(NN)C1CCCCS1(=O)=O
InChIInChI=1S/C13H19ClN2O3S/c1-19-11-6-5-9(14)8-10(11)13(16-15)12-4-2-3-7-20(12,17)18/h5-6,8,12-13,16H,2-4,7,15H2,1H3
InChIKeyZMAGWZWNHKYNCR-UHFFFAOYSA-N
XLogP1.82
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(5-chloro-2-methoxyphenyl)-1-(1,1-dioxothian-2-yl)-N-methylmethanamine
CID 104545857
[(1,1-dioxothian-2-yl)-(2-methoxy-5-methylphenyl)methyl]hydrazine
CID 105303562
[(2,5-dimethoxyphenyl)-(1,1-dioxothian-2-yl)methyl]hydrazine
CID 105305124
N-[(5-chloro-2-methoxyphenyl)-(1,1-dioxothian-2-yl)methyl]ethanamine
CID 104545953
[(5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclohexyl)methyl]hydrazine
CID 107193744
[(1,1-dioxothian-2-yl)-(4-methoxy-2-methylphenyl)methyl]hydrazine
CID 105291598
[(5-chloro-2-methoxyphenyl)-(2-ethylcyclohexyl)methyl]hydrazine
CID 105309673
N-[(5-bromo-2-methoxyphenyl)-(1,1-dioxothian-2-yl)methyl]ethanamine
CID 104518557
1-(2,5-dichloro-4-methoxyphenyl)-1-(1,1-dioxothian-2-yl)-N-methylmethanamine
CID 104519095
2-[chloro-(2,5-dimethoxyphenyl)methyl]thiane 1,1-dioxide
CID 104521297
[(5-chloro-2-methoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hydrazine
CID 105265902
2-[chloro-(5-fluoro-2-methoxyphenyl)methyl]thiane 1,1-dioxide
CID 104521361

Frequently Asked Questions

What is the IUPAC name of [(5-chloro-2-methoxyphenyl)-(1,1-dioxothian-2-yl)methyl]hydrazine?
The IUPAC name of [(5-chloro-2-methoxyphenyl)-(1,1-dioxothian-2-yl)methyl]hydrazine (CID 105300920) is [(5-chloro-2-methoxyphenyl)-(1,1-dioxothian-2-yl)methyl]hydrazine.
What is the SMILES notation for [(5-chloro-2-methoxyphenyl)-(1,1-dioxothian-2-yl)methyl]hydrazine?
The canonical SMILES for [(5-chloro-2-methoxyphenyl)-(1,1-dioxothian-2-yl)methyl]hydrazine is COc1ccc(Cl)cc1C(NN)C1CCCCS1(=O)=O.
What is the InChIKey of [(5-chloro-2-methoxyphenyl)-(1,1-dioxothian-2-yl)methyl]hydrazine?
The InChIKey is ZMAGWZWNHKYNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-19-11-6-5-9(14)8-10(11)13(16-15)12-4-2-3-7-20(12,17)18/h5-6,8,12-13,16H,2-4,7,15H2,1H3.
What are the key properties of [(5-chloro-2-methoxyphenyl)-(1,1-dioxothian-2-yl)methyl]hydrazine?
[(5-chloro-2-methoxyphenyl)-(1,1-dioxothian-2-yl)methyl]hydrazine has a molecular weight of 318.83 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-chloro-2-methoxyphenyl)-(1,1-dioxothian-2-yl)methyl]hydrazine is sourced from PubChem (CID 105300920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).