3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methyl-3-nitrophenyl)benzamide

C22H19N3O5S — CID 26796768

IUPAC3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methyl-3-nitrophenyl)benzamide
SMILESCc1c(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)cccc1[N+](=O)[O-]
InChIInChI=1S/C22H19N3O5S/c1-15-19(9-5-11-20(15)25(27)28)23-22(26)17-7-4-8-18(14-17)31(29,30)24-13-12-16-6-2-3-10-21(16)24/h2-11,14H,12-13H2,1H3,(H,23,26)
InChIKeyOEQRDKKQMJYKEK-UHFFFAOYSA-N
MW437.48 g/mol
LogP3.91
Rot. Bonds5

About 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methyl-3-nitrophenyl)benzamide

3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methyl-3-nitrophenyl)benzamide (PubChem CID 26796768) has the molecular formula C22H19N3O5S and a molecular weight of 437.48 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methyl-3-nitrophenyl)benzamide.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methyl-3-nitrophenyl)benzamide
PubChem CID26796768
Molecular FormulaC22H19N3O5S
Molecular Weight437.48 g/mol
Exact Mass437.10
IUPAC Name3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methyl-3-nitrophenyl)benzamide
SMILESCc1c(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)cccc1[N+](=O)[O-]
InChIInChI=1S/C22H19N3O5S/c1-15-19(9-5-11-20(15)25(27)28)23-22(26)17-7-4-8-18(14-17)31(29,30)24-13-12-16-6-2-3-10-21(16)24/h2-11,14H,12-13H2,1H3,(H,23,26)
InChIKeyOEQRDKKQMJYKEK-UHFFFAOYSA-N
XLogP3.91
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2,3-dimethylphenyl)benzamide
CID 7947076
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-propan-2-ylphenyl)benzamide
CID 7958230
3-[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]-N,4-dimethylbenzamide
CID 39132073
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4983147
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)benzoate
CID 7062520
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-methylpiperazin-1-yl)benzamide
CID 9204710
N-(3-chlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 7900124
3-(ethylsulfamoyl)-N-(2-methyl-3-nitrophenyl)benzamide
CID 26796668
N-[2-(2-bromoanilino)-2-oxoethyl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 2458986
N-(2-benzamidoethyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 55549519

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methyl-3-nitrophenyl)benzamide?
The IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methyl-3-nitrophenyl)benzamide (CID 26796768) is 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methyl-3-nitrophenyl)benzamide.
What is the SMILES notation for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methyl-3-nitrophenyl)benzamide?
The canonical SMILES for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methyl-3-nitrophenyl)benzamide is Cc1c(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)cccc1[N+](=O)[O-].
What is the InChIKey of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methyl-3-nitrophenyl)benzamide?
The InChIKey is OEQRDKKQMJYKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O5S/c1-15-19(9-5-11-20(15)25(27)28)23-22(26)17-7-4-8-18(14-17)31(29,30)24-13-12-16-6-2-3-10-21(16)24/h2-11,14H,12-13H2,1H3,(H,23,26).
What are the key properties of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methyl-3-nitrophenyl)benzamide?
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methyl-3-nitrophenyl)benzamide has a molecular weight of 437.48 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 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-methyl-3-nitrophenyl)benzamide is sourced from PubChem (CID 26796768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).