N'-[2-(4-chlorophenyl)sulfanylpropanoyl]-2-hydroxybenzohydrazide

C16H15ClN2O3S — CID 18109178

IUPACN'-[2-(4-chlorophenyl)sulfanylpropanoyl]-2-hydroxybenzohydrazide
SMILESCC(Sc1ccc(Cl)cc1)C(=O)NNC(=O)c1ccccc1O
InChIInChI=1S/C16H15ClN2O3S/c1-10(23-12-8-6-11(17)7-9-12)15(21)18-19-16(22)13-4-2-3-5-14(13)20/h2-10,20H,1H3,(H,18,21)(H,19,22)
InChIKeyPACQUCIPRCUJHY-UHFFFAOYSA-N
MW350.83 g/mol
LogP2.99
Rot. Bonds4

About N'-[2-(4-chlorophenyl)sulfanylpropanoyl]-2-hydroxybenzohydrazide

N'-[2-(4-chlorophenyl)sulfanylpropanoyl]-2-hydroxybenzohydrazide (PubChem CID 18109178) has the molecular formula C16H15ClN2O3S and a molecular weight of 350.83 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)sulfanylpropanoyl]-2-hydroxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)sulfanylpropanoyl]-2-hydroxybenzohydrazide
PubChem CID18109178
Molecular FormulaC16H15ClN2O3S
Molecular Weight350.83 g/mol
Exact Mass350.05
IUPAC NameN'-[2-(4-chlorophenyl)sulfanylpropanoyl]-2-hydroxybenzohydrazide
SMILESCC(Sc1ccc(Cl)cc1)C(=O)NNC(=O)c1ccccc1O
InChIInChI=1S/C16H15ClN2O3S/c1-10(23-12-8-6-11(17)7-9-12)15(21)18-19-16(22)13-4-2-3-5-14(13)20/h2-10,20H,1H3,(H,18,21)(H,19,22)
InChIKeyPACQUCIPRCUJHY-UHFFFAOYSA-N
XLogP2.99
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.83
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N'-[2-(4-chlorophenyl)sulfanylpropanoyl]benzohydrazide
CID 4849041
N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-2-hydroxybenzohydrazide
CID 7535126
2-bromo-N'-[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]benzohydrazide
CID 9399842
2-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]benzamide
CID 1257684
2-[2-(4-chlorophenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide
CID 86929881
2-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 2194523
N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-hydroxybenzohydrazide
CID 35515360
2-(4-chlorophenyl)sulfanyl-N-(3-hydroxyphenyl)propanamide
CID 78783827
2-(4-chlorophenyl)sulfanyl-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 135473290
N'-[(2S)-2-(1,3-benzothiazol-2-ylsulfanyl)propanoyl]-2-hydroxybenzohydrazide
CID 97249038
N'-[(2S)-2-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide
CID 8952897
N-(2-aminophenyl)-2-(4-chlorophenyl)sulfanylpropanamide
CID 43105108

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenyl)sulfanylpropanoyl]-2-hydroxybenzohydrazide?
The IUPAC name of N'-[2-(4-chlorophenyl)sulfanylpropanoyl]-2-hydroxybenzohydrazide (CID 18109178) is N'-[2-(4-chlorophenyl)sulfanylpropanoyl]-2-hydroxybenzohydrazide.
What is the SMILES notation for N'-[2-(4-chlorophenyl)sulfanylpropanoyl]-2-hydroxybenzohydrazide?
The canonical SMILES for N'-[2-(4-chlorophenyl)sulfanylpropanoyl]-2-hydroxybenzohydrazide is CC(Sc1ccc(Cl)cc1)C(=O)NNC(=O)c1ccccc1O.
What is the InChIKey of N'-[2-(4-chlorophenyl)sulfanylpropanoyl]-2-hydroxybenzohydrazide?
The InChIKey is PACQUCIPRCUJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3S/c1-10(23-12-8-6-11(17)7-9-12)15(21)18-19-16(22)13-4-2-3-5-14(13)20/h2-10,20H,1H3,(H,18,21)(H,19,22).
What are the key properties of N'-[2-(4-chlorophenyl)sulfanylpropanoyl]-2-hydroxybenzohydrazide?
N'-[2-(4-chlorophenyl)sulfanylpropanoyl]-2-hydroxybenzohydrazide has a molecular weight of 350.83 g/mol, XLogP of 2.99, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenyl)sulfanylpropanoyl]-2-hydroxybenzohydrazide is sourced from PubChem (CID 18109178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).