[1-(3-chlorophenyl)-2-methylsulfonylpropyl]hydrazine

C10H15ClN2O2S — CID 105289216

IUPAC[1-(3-chlorophenyl)-2-methylsulfonylpropyl]hydrazine
SMILESCC(C(NN)c1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C10H15ClN2O2S/c1-7(16(2,14)15)10(13-12)8-4-3-5-9(11)6-8/h3-7,10,13H,12H2,1-2H3
InChIKeyGKWZNWZOYFIEJI-UHFFFAOYSA-N
MW262.76 g/mol
LogP1.28
Rot. Bonds4

About [1-(3-chlorophenyl)-2-methylsulfonylpropyl]hydrazine

[1-(3-chlorophenyl)-2-methylsulfonylpropyl]hydrazine (PubChem CID 105289216) has the molecular formula C10H15ClN2O2S and a molecular weight of 262.76 g/mol. Its IUPAC name is [1-(3-chlorophenyl)-2-methylsulfonylpropyl]hydrazine.

Molecular Properties

Compound Name[1-(3-chlorophenyl)-2-methylsulfonylpropyl]hydrazine
PubChem CID105289216
Molecular FormulaC10H15ClN2O2S
Molecular Weight262.76 g/mol
Exact Mass262.05
IUPAC Name[1-(3-chlorophenyl)-2-methylsulfonylpropyl]hydrazine
SMILESCC(C(NN)c1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C10H15ClN2O2S/c1-7(16(2,14)15)10(13-12)8-4-3-5-9(11)6-8/h3-7,10,13H,12H2,1-2H3
InChIKeyGKWZNWZOYFIEJI-UHFFFAOYSA-N
XLogP1.28
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3,4-dichlorophenyl)-2-methylsulfonylpropyl]hydrazine
CID 105281333
1-(3-chlorophenyl)-2-methylsulfonylpropan-1-amine
CID 102550992
1-(3-chlorophenyl)-2-methylsulfonylpropan-1-ol
CID 102550104
(2R)-1,2-bis(3-chlorophenyl)-N,N'-dimethylethane-1,2-diamine
CID 166838557
[1-(3,5-dimethoxyphenyl)-2-methylsulfonylpropyl]hydrazine
CID 105323905
1-(3-chlorophenyl)-2-[methyl(3-methylsulfonylbutan-2-yl)amino]ethanol
CID 111488070
[1-(2,5-dichlorophenyl)-3-methylsulfonylbutan-2-yl]hydrazine
CID 105309866
[1-(3-chlorophenyl)-2-ethoxy-3,3-dimethylbutyl]hydrazine
CID 105273876
[(2S)-2-(3-chlorophenyl)propyl] methanesulfonate
CID 129412331
(3-chlorophenyl)-(3-methylsulfonylphenyl)methanamine
CID 115811597
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530
N-methyl-2-methylsulfonyl-1-(3-propan-2-yloxyphenyl)propan-1-amine
CID 105019058

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)-2-methylsulfonylpropyl]hydrazine?
The IUPAC name of [1-(3-chlorophenyl)-2-methylsulfonylpropyl]hydrazine (CID 105289216) is [1-(3-chlorophenyl)-2-methylsulfonylpropyl]hydrazine.
What is the SMILES notation for [1-(3-chlorophenyl)-2-methylsulfonylpropyl]hydrazine?
The canonical SMILES for [1-(3-chlorophenyl)-2-methylsulfonylpropyl]hydrazine is CC(C(NN)c1cccc(Cl)c1)S(C)(=O)=O.
What is the InChIKey of [1-(3-chlorophenyl)-2-methylsulfonylpropyl]hydrazine?
The InChIKey is GKWZNWZOYFIEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2S/c1-7(16(2,14)15)10(13-12)8-4-3-5-9(11)6-8/h3-7,10,13H,12H2,1-2H3.
What are the key properties of [1-(3-chlorophenyl)-2-methylsulfonylpropyl]hydrazine?
[1-(3-chlorophenyl)-2-methylsulfonylpropyl]hydrazine has a molecular weight of 262.76 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)-2-methylsulfonylpropyl]hydrazine is sourced from PubChem (CID 105289216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).