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

C21H23N3O6S2 — CID 43017804

IUPAC3-(2,3-dihydroindol-1-ylsulfonyl)-N'-[2-(1,1-dioxothiolan-3-yl)acetyl]benzohydrazide
SMILESO=C(CC1CCS(=O)(=O)C1)NNC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C21H23N3O6S2/c25-20(12-15-9-11-31(27,28)14-15)22-23-21(26)17-5-3-6-18(13-17)32(29,30)24-10-8-16-4-1-2-7-19(16)24/h1-7,13,15H,8-12,14H2,(H,22,25)(H,23,26)
InChIKeyHZMUZAPKOUCANZ-UHFFFAOYSA-N
MW477.56 g/mol
LogP1.02
Rot. Bonds5

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

3-(2,3-dihydroindol-1-ylsulfonyl)-N'-[2-(1,1-dioxothiolan-3-yl)acetyl]benzohydrazide (PubChem CID 43017804) has the molecular formula C21H23N3O6S2 and a molecular weight of 477.56 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-ylsulfonyl)-N'-[2-(1,1-dioxothiolan-3-yl)acetyl]benzohydrazide.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-ylsulfonyl)-N'-[2-(1,1-dioxothiolan-3-yl)acetyl]benzohydrazide
PubChem CID43017804
Molecular FormulaC21H23N3O6S2
Molecular Weight477.56 g/mol
Exact Mass477.10
IUPAC Name3-(2,3-dihydroindol-1-ylsulfonyl)-N'-[2-(1,1-dioxothiolan-3-yl)acetyl]benzohydrazide
SMILESO=C(CC1CCS(=O)(=O)C1)NNC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C21H23N3O6S2/c25-20(12-15-9-11-31(27,28)14-15)22-23-21(26)17-5-3-6-18(13-17)32(29,30)24-10-8-16-4-1-2-7-19(16)24/h1-7,13,15H,8-12,14H2,(H,22,25)(H,23,26)
InChIKeyHZMUZAPKOUCANZ-UHFFFAOYSA-N
XLogP1.02
TPSA129.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.56
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Related Compounds

[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 2999680
N-(2-benzamidoethyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 55549519
3-(2,3-dihydroindol-1-ylsulfonyl)-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide
CID 26616833
3-(2,3-dihydroindol-1-ylsulfonyl)-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 26242015
3-bromo-N'-[2-(1,1-dioxothiolan-3-yl)acetyl]benzohydrazide
CID 46464008
3-bromo-N'-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]benzohydrazide
CID 8938641
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-methylpiperazin-1-yl)benzamide
CID 9204710
3-(2,3-dihydroindol-1-ylsulfonyl)-N-phenylbenzamide
CID 2704832
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-ethylpent-1-yn-3-yl)benzamide
CID 7924074
N'-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]-3-phenoxybenzohydrazide
CID 8938684
3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 7062520
3-(2,3-dihydroindol-1-ylsulfonyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2433897

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)-N'-[2-(1,1-dioxothiolan-3-yl)acetyl]benzohydrazide?
The IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)-N'-[2-(1,1-dioxothiolan-3-yl)acetyl]benzohydrazide (CID 43017804) is 3-(2,3-dihydroindol-1-ylsulfonyl)-N'-[2-(1,1-dioxothiolan-3-yl)acetyl]benzohydrazide.
What is the SMILES notation for 3-(2,3-dihydroindol-1-ylsulfonyl)-N'-[2-(1,1-dioxothiolan-3-yl)acetyl]benzohydrazide?
The canonical SMILES for 3-(2,3-dihydroindol-1-ylsulfonyl)-N'-[2-(1,1-dioxothiolan-3-yl)acetyl]benzohydrazide is O=C(CC1CCS(=O)(=O)C1)NNC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1.
What is the InChIKey of 3-(2,3-dihydroindol-1-ylsulfonyl)-N'-[2-(1,1-dioxothiolan-3-yl)acetyl]benzohydrazide?
The InChIKey is HZMUZAPKOUCANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O6S2/c25-20(12-15-9-11-31(27,28)14-15)22-23-21(26)17-5-3-6-18(13-17)32(29,30)24-10-8-16-4-1-2-7-19(16)24/h1-7,13,15H,8-12,14H2,(H,22,25)(H,23,26).
What are the key properties of 3-(2,3-dihydroindol-1-ylsulfonyl)-N'-[2-(1,1-dioxothiolan-3-yl)acetyl]benzohydrazide?
3-(2,3-dihydroindol-1-ylsulfonyl)-N'-[2-(1,1-dioxothiolan-3-yl)acetyl]benzohydrazide has a molecular weight of 477.56 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-ylsulfonyl)-N'-[2-(1,1-dioxothiolan-3-yl)acetyl]benzohydrazide is sourced from PubChem (CID 43017804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).