3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(4-nitrophenyl)benzamide

C22H19N3O5S — CID 75852609

IUPAC3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(4-nitrophenyl)benzamide
SMILESCC1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C22H19N3O5S/c1-15-13-16-5-2-3-8-21(16)24(15)31(29,30)20-7-4-6-17(14-20)22(26)23-18-9-11-19(12-10-18)25(27)28/h2-12,14-15H,13H2,1H3,(H,23,26)
InChIKeyRAONWGPRTCGGEP-UHFFFAOYSA-N
MW437.48 g/mol
LogP3.99
Rot. Bonds5

About 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(4-nitrophenyl)benzamide

3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(4-nitrophenyl)benzamide (PubChem CID 75852609) has the molecular formula C22H19N3O5S and a molecular weight of 437.48 g/mol. Its IUPAC name is 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(4-nitrophenyl)benzamide.

Molecular Properties

Compound Name3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(4-nitrophenyl)benzamide
PubChem CID75852609
Molecular FormulaC22H19N3O5S
Molecular Weight437.48 g/mol
Exact Mass437.10
IUPAC Name3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(4-nitrophenyl)benzamide
SMILESCC1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C22H19N3O5S/c1-15-13-16-5-2-3-8-21(16)24(15)31(29,30)20-7-4-6-17(14-20)22(26)23-18-9-11-19(12-10-18)25(27)28/h2-12,14-15H,13H2,1H3,(H,23,26)
InChIKeyRAONWGPRTCGGEP-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
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'}

Analyze 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(4-nitrophenyl)benzamide 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

N-(2-methoxy-5-nitrophenyl)-3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide
CID 2344804
3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 2336693
3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-[1-(3-nitrophenyl)ethyl]benzamide
CID 112845926
3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 25383378
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide
CID 4524829
3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 4524824
3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-propylbenzamide
CID 109062095
3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-N-[4-(4-sulfamoylanilino)pyrimidin-2-yl]benzamide
CID 2315639
N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide
CID 55856112
N-(2,5-dimethoxyphenyl)-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide
CID 2349220
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide
CID 98391352
N-[(2S)-1-hydroxybutan-2-yl]-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide
CID 6596823

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(4-nitrophenyl)benzamide?
The IUPAC name of 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(4-nitrophenyl)benzamide (CID 75852609) is 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(4-nitrophenyl)benzamide.
What is the SMILES notation for 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(4-nitrophenyl)benzamide?
The canonical SMILES for 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(4-nitrophenyl)benzamide is CC1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(4-nitrophenyl)benzamide?
The InChIKey is RAONWGPRTCGGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O5S/c1-15-13-16-5-2-3-8-21(16)24(15)31(29,30)20-7-4-6-17(14-20)22(26)23-18-9-11-19(12-10-18)25(27)28/h2-12,14-15H,13H2,1H3,(H,23,26).
What are the key properties of 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(4-nitrophenyl)benzamide?
3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(4-nitrophenyl)benzamide has a molecular weight of 437.48 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(4-nitrophenyl)benzamide is sourced from PubChem (CID 75852609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).