N-(2-methoxy-5-nitrophenyl)-3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide

C23H21N3O6S — CID 2344804

IUPACN-(2-methoxy-5-nitrophenyl)-3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1
InChIInChI=1S/C23H21N3O6S/c1-15-12-16-6-3-4-9-21(16)25(15)33(30,31)19-8-5-7-17(13-19)23(27)24-20-14-18(26(28)29)10-11-22(20)32-2/h3-11,13-15H,12H2,1-2H3,(H,24,27)/t15-/m1/s1
InChIKeyXTWSVMTVQXNKIK-OAHLLOKOSA-N
MW467.50 g/mol
LogP4.00
Rot. Bonds6

About N-(2-methoxy-5-nitrophenyl)-3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide

N-(2-methoxy-5-nitrophenyl)-3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide (PubChem CID 2344804) has the molecular formula C23H21N3O6S and a molecular weight of 467.50 g/mol. Its IUPAC name is N-(2-methoxy-5-nitrophenyl)-3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide.

Molecular Properties

Compound NameN-(2-methoxy-5-nitrophenyl)-3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide
PubChem CID2344804
Molecular FormulaC23H21N3O6S
Molecular Weight467.50 g/mol
Exact Mass467.12
IUPAC NameN-(2-methoxy-5-nitrophenyl)-3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1
InChIInChI=1S/C23H21N3O6S/c1-15-12-16-6-3-4-9-21(16)25(15)33(30,31)19-8-5-7-17(13-19)23(27)24-20-14-18(26(28)29)10-11-22(20)32-2/h3-11,13-15H,12H2,1-2H3,(H,24,27)/t15-/m1/s1
InChIKeyXTWSVMTVQXNKIK-OAHLLOKOSA-N
XLogP4.00
TPSA118.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.50
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(2-methoxy-5-nitrophenyl)-3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]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-(2,5-dimethoxyphenyl)-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide
CID 2349220
3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(4-nitrophenyl)benzamide
CID 75852609
3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-[1-(3-nitrophenyl)ethyl]benzamide
CID 112845926
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide
CID 98391352
3-(benzenesulfonamido)-N-(2-methoxy-5-nitrophenyl)benzamide
CID 19062366
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-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 4524824
3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-propylbenzamide
CID 109062095
3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 25383378
N-ethyl-2-methoxy-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide
CID 132656235
N-[2-(4-methoxyphenyl)ethyl]-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide
CID 4876869
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-nitrobenzamide
CID 7921738

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-nitrophenyl)-3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide?
The IUPAC name of N-(2-methoxy-5-nitrophenyl)-3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide (CID 2344804) is N-(2-methoxy-5-nitrophenyl)-3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide.
What is the SMILES notation for N-(2-methoxy-5-nitrophenyl)-3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide?
The canonical SMILES for N-(2-methoxy-5-nitrophenyl)-3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide is COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1.
What is the InChIKey of N-(2-methoxy-5-nitrophenyl)-3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide?
The InChIKey is XTWSVMTVQXNKIK-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H21N3O6S/c1-15-12-16-6-3-4-9-21(16)25(15)33(30,31)19-8-5-7-17(13-19)23(27)24-20-14-18(26(28)29)10-11-22(20)32-2/h3-11,13-15H,12H2,1-2H3,(H,24,27)/t15-/m1/s1.
What are the key properties of N-(2-methoxy-5-nitrophenyl)-3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide?
N-(2-methoxy-5-nitrophenyl)-3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide has a molecular weight of 467.50 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-nitrophenyl)-3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide is sourced from PubChem (CID 2344804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).