N'-[2-[2-(benzenesulfonyl)ethylsulfanyl]acetyl]-2-chlorobenzohydrazide

C17H17ClN2O4S2 — CID 2819952

IUPACN'-[2-[2-(benzenesulfonyl)ethylsulfanyl]acetyl]-2-chlorobenzohydrazide
SMILESO=C(CSCCS(=O)(=O)c1ccccc1)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C17H17ClN2O4S2/c18-15-9-5-4-8-14(15)17(22)20-19-16(21)12-25-10-11-26(23,24)13-6-2-1-3-7-13/h1-9H,10-12H2,(H,19,21)(H,20,22)
InChIKeyHDCYXYTZCHJYBQ-UHFFFAOYSA-N
MW412.92 g/mol
LogP2.31
Rot. Bonds7

About N'-[2-[2-(benzenesulfonyl)ethylsulfanyl]acetyl]-2-chlorobenzohydrazide

N'-[2-[2-(benzenesulfonyl)ethylsulfanyl]acetyl]-2-chlorobenzohydrazide (PubChem CID 2819952) has the molecular formula C17H17ClN2O4S2 and a molecular weight of 412.92 g/mol. Its IUPAC name is N'-[2-[2-(benzenesulfonyl)ethylsulfanyl]acetyl]-2-chlorobenzohydrazide.

Molecular Properties

Compound NameN'-[2-[2-(benzenesulfonyl)ethylsulfanyl]acetyl]-2-chlorobenzohydrazide
PubChem CID2819952
Molecular FormulaC17H17ClN2O4S2
Molecular Weight412.92 g/mol
Exact Mass412.03
IUPAC NameN'-[2-[2-(benzenesulfonyl)ethylsulfanyl]acetyl]-2-chlorobenzohydrazide
SMILESO=C(CSCCS(=O)(=O)c1ccccc1)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C17H17ClN2O4S2/c18-15-9-5-4-8-14(15)17(22)20-19-16(21)12-25-10-11-26(23,24)13-6-2-1-3-7-13/h1-9H,10-12H2,(H,19,21)(H,20,22)
InChIKeyHDCYXYTZCHJYBQ-UHFFFAOYSA-N
XLogP2.31
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-(3-chlorobenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 4789601
2-chloro-N'-(2-thiophen-3-ylacetyl)benzohydrazide
CID 24982724
N'-{2-[(2-chlorobenzyl)thio]acetyl}benzohydrazide
CID 2221364
N'-[2-(4-methylphenyl)sulfanylacetyl]-4-methylsulfonylbenzohydrazide
CID 4796702
4-Chloro-N-{4-[N''-(thiophene-2-carbonyl)-hydrazinocarbonyl]-cyclohexylmethyl}-benzenesulfonamide
CID 44370215
N'-[(2-chlorophenyl)-oxomethyl]-2-thiophenecarbohydrazide
CID 809168
2-chloro-N'-[3-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide
CID 7964766
2-chloro-N'-(2-thiophen-2-ylacetyl)benzohydrazide
CID 7964781
4-[[(4-Chlorobenzoyl)amino]carbamoyl]benzenesulfonamide
CID 155543548
N-tert-butyl-2-chloro-N'-(4-methylsulfonylbenzoyl)benzohydrazide
CID 76334632
N-[1-[2-(2-chlorobenzoyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 2819806
N'-[(4-chlorophenyl)sulfonyl]benzohydrazide
CID 456824

Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-(benzenesulfonyl)ethylsulfanyl]acetyl]-2-chlorobenzohydrazide?
The IUPAC name of N'-[2-[2-(benzenesulfonyl)ethylsulfanyl]acetyl]-2-chlorobenzohydrazide (CID 2819952) is N'-[2-[2-(benzenesulfonyl)ethylsulfanyl]acetyl]-2-chlorobenzohydrazide.
What is the SMILES notation for N'-[2-[2-(benzenesulfonyl)ethylsulfanyl]acetyl]-2-chlorobenzohydrazide?
The canonical SMILES for N'-[2-[2-(benzenesulfonyl)ethylsulfanyl]acetyl]-2-chlorobenzohydrazide is O=C(CSCCS(=O)(=O)c1ccccc1)NNC(=O)c1ccccc1Cl.
What is the InChIKey of N'-[2-[2-(benzenesulfonyl)ethylsulfanyl]acetyl]-2-chlorobenzohydrazide?
The InChIKey is HDCYXYTZCHJYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4S2/c18-15-9-5-4-8-14(15)17(22)20-19-16(21)12-25-10-11-26(23,24)13-6-2-1-3-7-13/h1-9H,10-12H2,(H,19,21)(H,20,22).
What are the key properties of N'-[2-[2-(benzenesulfonyl)ethylsulfanyl]acetyl]-2-chlorobenzohydrazide?
N'-[2-[2-(benzenesulfonyl)ethylsulfanyl]acetyl]-2-chlorobenzohydrazide has a molecular weight of 412.92 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-(benzenesulfonyl)ethylsulfanyl]acetyl]-2-chlorobenzohydrazide is sourced from PubChem (CID 2819952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).