3-(2,3-dihydroindol-1-ylsulfonyl)-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide

C24H23N3O4S2 — CID 26616833

IUPAC3-(2,3-dihydroindol-1-ylsulfonyl)-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide
SMILESCc1ccc(SCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)cc1
InChIInChI=1S/C24H23N3O4S2/c1-17-9-11-20(12-10-17)32-16-23(28)25-26-24(29)19-6-4-7-21(15-19)33(30,31)27-14-13-18-5-2-3-8-22(18)27/h2-12,15H,13-14,16H2,1H3,(H,25,28)(H,26,29)
InChIKeyFVFKRSONIUPYIB-UHFFFAOYSA-N
MW481.60 g/mol
LogP3.30
Rot. Bonds6

About 3-(2,3-dihydroindol-1-ylsulfonyl)-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide

3-(2,3-dihydroindol-1-ylsulfonyl)-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide (PubChem CID 26616833) has the molecular formula C24H23N3O4S2 and a molecular weight of 481.60 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-ylsulfonyl)-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-ylsulfonyl)-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide
PubChem CID26616833
Molecular FormulaC24H23N3O4S2
Molecular Weight481.60 g/mol
Exact Mass481.11
IUPAC Name3-(2,3-dihydroindol-1-ylsulfonyl)-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide
SMILESCc1ccc(SCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)cc1
InChIInChI=1S/C24H23N3O4S2/c1-17-9-11-20(12-10-17)32-16-23(28)25-26-24(29)19-6-4-7-21(15-19)33(30,31)27-14-13-18-5-2-3-8-22(18)27/h2-12,15H,13-14,16H2,1H3,(H,25,28)(H,26,29)
InChIKeyFVFKRSONIUPYIB-UHFFFAOYSA-N
XLogP3.30
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-benzamidoethyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 55549519
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-methylpiperazin-1-yl)benzamide
CID 9204710
3-(2,3-dihydroindol-1-ylsulfonyl)-N'-[2-(1,1-dioxothiolan-3-yl)acetyl]benzohydrazide
CID 43017804
3-(2,3-dihydroindol-1-ylsulfonyl)-N-phenylbenzamide
CID 2704832
3-(2,3-dihydroindol-1-ylsulfonyl)-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 26242015
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-ethylpent-1-yn-3-yl)benzamide
CID 7924074
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2,3-dimethylphenyl)benzamide
CID 7947076
methyl (2R)-2-[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]-3-hydroxypropanoate
CID 9277502
1-(3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 5010201
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-methylpiperazin-4-ium-1-yl)benzamide
CID 9204709
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-propan-2-ylphenyl)benzamide
CID 7958230
3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 7062520

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide?
The IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide (CID 26616833) is 3-(2,3-dihydroindol-1-ylsulfonyl)-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide.
What is the SMILES notation for 3-(2,3-dihydroindol-1-ylsulfonyl)-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide?
The canonical SMILES for 3-(2,3-dihydroindol-1-ylsulfonyl)-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide is Cc1ccc(SCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)cc1.
What is the InChIKey of 3-(2,3-dihydroindol-1-ylsulfonyl)-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide?
The InChIKey is FVFKRSONIUPYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S2/c1-17-9-11-20(12-10-17)32-16-23(28)25-26-24(29)19-6-4-7-21(15-19)33(30,31)27-14-13-18-5-2-3-8-22(18)27/h2-12,15H,13-14,16H2,1H3,(H,25,28)(H,26,29).
What are the key properties of 3-(2,3-dihydroindol-1-ylsulfonyl)-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide?
3-(2,3-dihydroindol-1-ylsulfonyl)-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide has a molecular weight of 481.60 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-ylsulfonyl)-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide is sourced from PubChem (CID 26616833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).