3-(2-amino-6-chlorophenyl)sulfanyl-2-phenylpropanehydrazide

C15H16ClN3OS — CID 64558643

IUPAC3-(2-amino-6-chlorophenyl)sulfanyl-2-phenylpropanehydrazide
SMILESNNC(=O)C(CSc1c(N)cccc1Cl)c1ccccc1
InChIInChI=1S/C15H16ClN3OS/c16-12-7-4-8-13(17)14(12)21-9-11(15(20)19-18)10-5-2-1-3-6-10/h1-8,11H,9,17-18H2,(H,19,20)
InChIKeySBQMSJOXQKUZAR-UHFFFAOYSA-N
MW321.83 g/mol
LogP2.79
Rot. Bonds5

About 3-(2-amino-6-chlorophenyl)sulfanyl-2-phenylpropanehydrazide

3-(2-amino-6-chlorophenyl)sulfanyl-2-phenylpropanehydrazide (PubChem CID 64558643) has the molecular formula C15H16ClN3OS and a molecular weight of 321.83 g/mol. Its IUPAC name is 3-(2-amino-6-chlorophenyl)sulfanyl-2-phenylpropanehydrazide.

Molecular Properties

Compound Name3-(2-amino-6-chlorophenyl)sulfanyl-2-phenylpropanehydrazide
PubChem CID64558643
Molecular FormulaC15H16ClN3OS
Molecular Weight321.83 g/mol
Exact Mass321.07
IUPAC Name3-(2-amino-6-chlorophenyl)sulfanyl-2-phenylpropanehydrazide
SMILESNNC(=O)C(CSc1c(N)cccc1Cl)c1ccccc1
InChIInChI=1S/C15H16ClN3OS/c16-12-7-4-8-13(17)14(12)21-9-11(15(20)19-18)10-5-2-1-3-6-10/h1-8,11H,9,17-18H2,(H,19,20)
InChIKeySBQMSJOXQKUZAR-UHFFFAOYSA-N
XLogP2.79
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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-amino-6-chlorophenyl)sulfanylacetic acid
CID 61318232
3-[(5-chloro-2-pyridinyl)sulfanyl]-2-phenylpropanehydrazide
CID 64560762
2-phenyl-3-pyridin-2-ylsulfanylpropanehydrazide
CID 64561520
3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylpropanehydrazide
CID 64560562
3-(2-amino-6-chlorophenyl)sulfanylpropane-1,2-diol
CID 79681822
2-(2-amino-6-chlorophenyl)sulfanyl-N-benzylacetamide
CID 43304833
4-(2-amino-6-chlorophenyl)sulfanylbut-2-enoic acid
CID 76940801
3-(2-aminobutylsulfanyl)-2-phenylpropanehydrazide
CID 66227938
2-(3-hydrazinyl-3-oxo-2-phenylpropyl)sulfanyl-N-methylacetamide
CID 114232081
4-[(2-amino-6-chlorophenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
CID 63582766
hydrazinyl 3-(2-amino-6-chlorophenyl)sulfanylpropanoate
CID 66338067
3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylpropanehydrazide
CID 64560177

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-6-chlorophenyl)sulfanyl-2-phenylpropanehydrazide?
The IUPAC name of 3-(2-amino-6-chlorophenyl)sulfanyl-2-phenylpropanehydrazide (CID 64558643) is 3-(2-amino-6-chlorophenyl)sulfanyl-2-phenylpropanehydrazide.
What is the SMILES notation for 3-(2-amino-6-chlorophenyl)sulfanyl-2-phenylpropanehydrazide?
The canonical SMILES for 3-(2-amino-6-chlorophenyl)sulfanyl-2-phenylpropanehydrazide is NNC(=O)C(CSc1c(N)cccc1Cl)c1ccccc1.
What is the InChIKey of 3-(2-amino-6-chlorophenyl)sulfanyl-2-phenylpropanehydrazide?
The InChIKey is SBQMSJOXQKUZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3OS/c16-12-7-4-8-13(17)14(12)21-9-11(15(20)19-18)10-5-2-1-3-6-10/h1-8,11H,9,17-18H2,(H,19,20).
What are the key properties of 3-(2-amino-6-chlorophenyl)sulfanyl-2-phenylpropanehydrazide?
3-(2-amino-6-chlorophenyl)sulfanyl-2-phenylpropanehydrazide has a molecular weight of 321.83 g/mol, XLogP of 2.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-6-chlorophenyl)sulfanyl-2-phenylpropanehydrazide is sourced from PubChem (CID 64558643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).