5-chloro-N'-[4-(ethylsulfanylmethyl)benzoyl]-2-hydroxybenzohydrazide

C17H17ClN2O3S — CID 55902498

IUPAC5-chloro-N'-[4-(ethylsulfanylmethyl)benzoyl]-2-hydroxybenzohydrazide
SMILESCCSCc1ccc(C(=O)NNC(=O)c2cc(Cl)ccc2O)cc1
InChIInChI=1S/C17H17ClN2O3S/c1-2-24-10-11-3-5-12(6-4-11)16(22)19-20-17(23)14-9-13(18)7-8-15(14)21/h3-9,21H,2,10H2,1H3,(H,19,22)(H,20,23)
InChIKeyLNRJLXLMHKDZBL-UHFFFAOYSA-N
MW364.85 g/mol
LogP3.37
Rot. Bonds5

About 5-chloro-N'-[4-(ethylsulfanylmethyl)benzoyl]-2-hydroxybenzohydrazide

5-chloro-N'-[4-(ethylsulfanylmethyl)benzoyl]-2-hydroxybenzohydrazide (PubChem CID 55902498) has the molecular formula C17H17ClN2O3S and a molecular weight of 364.85 g/mol. Its IUPAC name is 5-chloro-N'-[4-(ethylsulfanylmethyl)benzoyl]-2-hydroxybenzohydrazide.

Molecular Properties

Compound Name5-chloro-N'-[4-(ethylsulfanylmethyl)benzoyl]-2-hydroxybenzohydrazide
PubChem CID55902498
Molecular FormulaC17H17ClN2O3S
Molecular Weight364.85 g/mol
Exact Mass364.06
IUPAC Name5-chloro-N'-[4-(ethylsulfanylmethyl)benzoyl]-2-hydroxybenzohydrazide
SMILESCCSCc1ccc(C(=O)NNC(=O)c2cc(Cl)ccc2O)cc1
InChIInChI=1S/C17H17ClN2O3S/c1-2-24-10-11-3-5-12(6-4-11)16(22)19-20-17(23)14-9-13(18)7-8-15(14)21/h3-9,21H,2,10H2,1H3,(H,19,22)(H,20,23)
InChIKeyLNRJLXLMHKDZBL-UHFFFAOYSA-N
XLogP3.37
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 53.37
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

5-(ethylsulfanylmethyl)-2-hydroxybenzoic acid
CID 117222104
5-bromo-N'-[4-(ethylsulfanylmethyl)benzoyl]thiophene-2-carbohydrazide
CID 55882212
N'-(4-butylbenzoyl)-5-[[3-[[(4-butylbenzoyl)amino]carbamoyl]-4-hydroxyphenyl]methyl]-2-hydroxybenzohydrazide
CID 101304313
[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 7433204
N'-(4-chlorobenzoyl)-4-propylbenzohydrazide
CID 765467
N-[(2R)-4-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-4-oxobutan-2-yl]benzamide
CID 42209652
5-chloro-N'-(4-ethoxybenzoyl)-2-fluorobenzohydrazide
CID 9086466
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-(ethylsulfanylmethyl)benzamide
CID 60528224
2,5-dichloro-N'-(4-phenylbenzoyl)benzohydrazide
CID 4789053
5-chloro-N'-(3,3-difluoro-2,2-dimethylbutanoyl)-2-hydroxybenzohydrazide
CID 166235169
2,3,4,5-tetrabromo-6-[[(5-chloro-2-hydroxybenzoyl)amino]carbamoyl]benzoic acid
CID 3327160
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771372

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N'-[4-(ethylsulfanylmethyl)benzoyl]-2-hydroxybenzohydrazide?
The IUPAC name of 5-chloro-N'-[4-(ethylsulfanylmethyl)benzoyl]-2-hydroxybenzohydrazide (CID 55902498) is 5-chloro-N'-[4-(ethylsulfanylmethyl)benzoyl]-2-hydroxybenzohydrazide.
What is the SMILES notation for 5-chloro-N'-[4-(ethylsulfanylmethyl)benzoyl]-2-hydroxybenzohydrazide?
The canonical SMILES for 5-chloro-N'-[4-(ethylsulfanylmethyl)benzoyl]-2-hydroxybenzohydrazide is CCSCc1ccc(C(=O)NNC(=O)c2cc(Cl)ccc2O)cc1.
What is the InChIKey of 5-chloro-N'-[4-(ethylsulfanylmethyl)benzoyl]-2-hydroxybenzohydrazide?
The InChIKey is LNRJLXLMHKDZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3S/c1-2-24-10-11-3-5-12(6-4-11)16(22)19-20-17(23)14-9-13(18)7-8-15(14)21/h3-9,21H,2,10H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 5-chloro-N'-[4-(ethylsulfanylmethyl)benzoyl]-2-hydroxybenzohydrazide?
5-chloro-N'-[4-(ethylsulfanylmethyl)benzoyl]-2-hydroxybenzohydrazide has a molecular weight of 364.85 g/mol, XLogP of 3.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N'-[4-(ethylsulfanylmethyl)benzoyl]-2-hydroxybenzohydrazide is sourced from PubChem (CID 55902498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).