3-(2,3-dihydroindol-1-ylsulfonyl)-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide

C23H20N4O7S — CID 26242015

IUPAC3-(2,3-dihydroindol-1-ylsulfonyl)-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
SMILESO=C(COc1ccccc1[N+](=O)[O-])NNC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C23H20N4O7S/c28-22(15-34-21-11-4-3-10-20(21)27(30)31)24-25-23(29)17-7-5-8-18(14-17)35(32,33)26-13-12-16-6-1-2-9-19(16)26/h1-11,14H,12-13,15H2,(H,24,28)(H,25,29)
InChIKeyRMHNEBGBCRCCNR-UHFFFAOYSA-N
MW496.50 g/mol
LogP2.19
Rot. Bonds7

About 3-(2,3-dihydroindol-1-ylsulfonyl)-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide

3-(2,3-dihydroindol-1-ylsulfonyl)-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide (PubChem CID 26242015) has the molecular formula C23H20N4O7S and a molecular weight of 496.50 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-ylsulfonyl)-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-ylsulfonyl)-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
PubChem CID26242015
Molecular FormulaC23H20N4O7S
Molecular Weight496.50 g/mol
Exact Mass496.11
IUPAC Name3-(2,3-dihydroindol-1-ylsulfonyl)-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
SMILESO=C(COc1ccccc1[N+](=O)[O-])NNC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C23H20N4O7S/c28-22(15-34-21-11-4-3-10-20(21)27(30)31)24-25-23(29)17-7-5-8-18(14-17)35(32,33)26-13-12-16-6-1-2-9-19(16)26/h1-11,14H,12-13,15H2,(H,24,28)(H,25,29)
InChIKeyRMHNEBGBCRCCNR-UHFFFAOYSA-N
XLogP2.19
TPSA147.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.50
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-(2,3-dihydroindol-1-ylsulfonyl)-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methyl-3-nitrophenyl)benzamide
CID 26796768
3-(2,3-dihydroindol-1-ylsulfonyl)-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide
CID 26616833
3-(2,3-dihydroindol-1-ylsulfonyl)-N'-[2-(1,1-dioxothiolan-3-yl)acetyl]benzohydrazide
CID 43017804
N-(2-benzamidoethyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 55549519
4-methylsulfonyl-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 26887625
3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 7062520
3-(2,3-dihydroindol-1-ylsulfonyl)-N-phenylbenzamide
CID 2704832
2-oxopropyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 5122086
[2-(methylamino)-2-oxoethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 8663402
[2-(tert-butylamino)-2-oxoethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 2406740
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-methylpiperazin-1-yl)benzamide
CID 9204710
1-(3-nitrophenyl)sulfonyl-2,3-dihydroindole
CID 2952438

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide?
The IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide (CID 26242015) is 3-(2,3-dihydroindol-1-ylsulfonyl)-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 3-(2,3-dihydroindol-1-ylsulfonyl)-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide?
The canonical SMILES for 3-(2,3-dihydroindol-1-ylsulfonyl)-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide is O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1.
What is the InChIKey of 3-(2,3-dihydroindol-1-ylsulfonyl)-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide?
The InChIKey is RMHNEBGBCRCCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O7S/c28-22(15-34-21-11-4-3-10-20(21)27(30)31)24-25-23(29)17-7-5-8-18(14-17)35(32,33)26-13-12-16-6-1-2-9-19(16)26/h1-11,14H,12-13,15H2,(H,24,28)(H,25,29).
What are the key properties of 3-(2,3-dihydroindol-1-ylsulfonyl)-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide?
3-(2,3-dihydroindol-1-ylsulfonyl)-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide has a molecular weight of 496.50 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-ylsulfonyl)-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 26242015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).