2-(2-chlorophenyl)sulfanylpropanehydrazide

C9H11ClN2OS — CID 61059907

IUPAC2-(2-chlorophenyl)sulfanylpropanehydrazide
SMILESCC(Sc1ccccc1Cl)C(=O)NN
InChIInChI=1S/C9H11ClN2OS/c1-6(9(13)12-11)14-8-5-3-2-4-7(8)10/h2-6H,11H2,1H3,(H,12,13)
InChIKeyCFKDKFKJBGATCR-UHFFFAOYSA-N
MW230.72 g/mol
LogP1.81
Rot. Bonds3

About 2-(2-chlorophenyl)sulfanylpropanehydrazide

2-(2-chlorophenyl)sulfanylpropanehydrazide (PubChem CID 61059907) has the molecular formula C9H11ClN2OS and a molecular weight of 230.72 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanylpropanehydrazide.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanylpropanehydrazide
PubChem CID61059907
Molecular FormulaC9H11ClN2OS
Molecular Weight230.72 g/mol
Exact Mass230.03
IUPAC Name2-(2-chlorophenyl)sulfanylpropanehydrazide
SMILESCC(Sc1ccccc1Cl)C(=O)NN
InChIInChI=1S/C9H11ClN2OS/c1-6(9(13)12-11)14-8-5-3-2-4-7(8)10/h2-6H,11H2,1H3,(H,12,13)
InChIKeyCFKDKFKJBGATCR-UHFFFAOYSA-N
XLogP1.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.72
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylphenyl)sulfanylpropanehydrazide
CID 63582156
N-(3-aminobutyl)-2-(2-chlorophenyl)sulfanylpropanamide
CID 119498900
(2S)-2-(2-chlorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide
CID 2498847
N-(4-aminocyclohexyl)-2-(2-chlorophenyl)sulfanylpropanamide;hydrochloride
CID 119478329
(2S)-2-(2-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide
CID 9432906
(2R)-2-(2-chlorophenyl)sulfanyl-N-(2,3,4-trifluorophenyl)propanamide
CID 7761137
2-(2-chlorophenyl)sulfanyl-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 111331233
2-[2-(2-chlorophenyl)sulfanylpropanoylamino]-2-cyclopropylacetic acid
CID 119213148
(2S)-2-(2-chlorophenyl)sulfanyl-N-[(2R)-1,1-dimethoxybutan-2-yl]propanamide
CID 125138837
4-[2-(2-chlorophenyl)sulfanylpropanoylamino]-4-methylpentanoic acid
CID 119203693
2-(2-chlorophenyl)sulfanyl-N-(3,4-dimethoxyphenyl)propanamide
CID 55417451
2-(2-chlorophenyl)sulfanyl-N-[(2-propan-2-yloxyphenyl)methyl]propanamide
CID 55908762

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanylpropanehydrazide?
The IUPAC name of 2-(2-chlorophenyl)sulfanylpropanehydrazide (CID 61059907) is 2-(2-chlorophenyl)sulfanylpropanehydrazide.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanylpropanehydrazide?
The canonical SMILES for 2-(2-chlorophenyl)sulfanylpropanehydrazide is CC(Sc1ccccc1Cl)C(=O)NN.
What is the InChIKey of 2-(2-chlorophenyl)sulfanylpropanehydrazide?
The InChIKey is CFKDKFKJBGATCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2OS/c1-6(9(13)12-11)14-8-5-3-2-4-7(8)10/h2-6H,11H2,1H3,(H,12,13).
What are the key properties of 2-(2-chlorophenyl)sulfanylpropanehydrazide?
2-(2-chlorophenyl)sulfanylpropanehydrazide has a molecular weight of 230.72 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanylpropanehydrazide is sourced from PubChem (CID 61059907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).