N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzohydrazide

C20H17Cl2N3O4S — CID 24641200

IUPACN'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzohydrazide
SMILESO=C(CSc1cc(Cl)ccc1Cl)NNC(=O)c1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C20H17Cl2N3O4S/c21-14-5-6-15(22)16(9-14)30-11-17(26)23-24-20(29)13-3-1-12(2-4-13)10-25-18(27)7-8-19(25)28/h1-6,9H,7-8,10-11H2,(H,23,26)(H,24,29)
InChIKeyRFVMVMFIRDHNPG-UHFFFAOYSA-N
MW466.35 g/mol
LogP3.20
Rot. Bonds6

About N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzohydrazide

N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzohydrazide (PubChem CID 24641200) has the molecular formula C20H17Cl2N3O4S and a molecular weight of 466.35 g/mol. Its IUPAC name is N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzohydrazide
PubChem CID24641200
Molecular FormulaC20H17Cl2N3O4S
Molecular Weight466.35 g/mol
Exact Mass465.03
IUPAC NameN'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzohydrazide
SMILESO=C(CSc1cc(Cl)ccc1Cl)NNC(=O)c1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C20H17Cl2N3O4S/c21-14-5-6-15(22)16(9-14)30-11-17(26)23-24-20(29)13-3-1-12(2-4-13)10-25-18(27)7-8-19(25)28/h1-6,9H,7-8,10-11H2,(H,23,26)(H,24,29)
InChIKeyRFVMVMFIRDHNPG-UHFFFAOYSA-N
XLogP3.20
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.35
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]acetohydrazide
CID 7969708
N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-3-fluoro-4-methylbenzohydrazide
CID 9091295
5,6-dichloro-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]pyridine-3-carbohydrazide
CID 24641131
2-chloro-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-5-methylsulfanylbenzohydrazide
CID 24641126
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoate
CID 27703777
N-[1-(4-chlorophenyl)propyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 17467880
N-(3,4-difluorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 17498612
N-[2-(3,4-dichlorophenyl)propan-2-yl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 49149193
N-[3-[2-[2-(2,5-dichlorophenyl)sulfanylacetyl]hydrazinyl]-3-oxopropyl]-4-nitrobenzamide
CID 24641172
N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-2-methyl-5-methylsulfonylbenzohydrazide
CID 24641183
N-(4-chloro-2-pyrrol-1-ylphenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 56530350
4-chloro-N'-[2-(2-methylphenyl)sulfanylacetyl]benzohydrazide
CID 7780155

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzohydrazide?
The IUPAC name of N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzohydrazide (CID 24641200) is N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzohydrazide.
What is the SMILES notation for N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzohydrazide?
The canonical SMILES for N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzohydrazide is O=C(CSc1cc(Cl)ccc1Cl)NNC(=O)c1ccc(CN2C(=O)CCC2=O)cc1.
What is the InChIKey of N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzohydrazide?
The InChIKey is RFVMVMFIRDHNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O4S/c21-14-5-6-15(22)16(9-14)30-11-17(26)23-24-20(29)13-3-1-12(2-4-13)10-25-18(27)7-8-19(25)28/h1-6,9H,7-8,10-11H2,(H,23,26)(H,24,29).
What are the key properties of N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzohydrazide?
N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzohydrazide has a molecular weight of 466.35 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzohydrazide is sourced from PubChem (CID 24641200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).