N-(benzenesulfonyl)-2-methoxy-5-[(1-methyl-5-nitroindol-3-yl)methyl]benzamide

C24H21N3O6S — CID 155384382

IUPACN-(benzenesulfonyl)-2-methoxy-5-[(1-methyl-5-nitroindol-3-yl)methyl]benzamide
SMILESCOc1ccc(Cc2cn(C)c3ccc([N+](=O)[O-])cc23)cc1C(=O)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C24H21N3O6S/c1-26-15-17(20-14-18(27(29)30)9-10-22(20)26)12-16-8-11-23(33-2)21(13-16)24(28)25-34(31,32)19-6-4-3-5-7-19/h3-11,13-15H,12H2,1-2H3,(H,25,28)
InChIKeyAMZUVXTXXLKLON-UHFFFAOYSA-N
MW479.51 g/mol
LogP3.80
Rot. Bonds7

About N-(benzenesulfonyl)-2-methoxy-5-[(1-methyl-5-nitroindol-3-yl)methyl]benzamide

N-(benzenesulfonyl)-2-methoxy-5-[(1-methyl-5-nitroindol-3-yl)methyl]benzamide (PubChem CID 155384382) has the molecular formula C24H21N3O6S and a molecular weight of 479.51 g/mol. Its IUPAC name is N-(benzenesulfonyl)-2-methoxy-5-[(1-methyl-5-nitroindol-3-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-2-methoxy-5-[(1-methyl-5-nitroindol-3-yl)methyl]benzamide
PubChem CID155384382
Molecular FormulaC24H21N3O6S
Molecular Weight479.51 g/mol
Exact Mass479.12
IUPAC NameN-(benzenesulfonyl)-2-methoxy-5-[(1-methyl-5-nitroindol-3-yl)methyl]benzamide
SMILESCOc1ccc(Cc2cn(C)c3ccc([N+](=O)[O-])cc23)cc1C(=O)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C24H21N3O6S/c1-26-15-17(20-14-18(27(29)30)9-10-22(20)26)12-16-8-11-23(33-2)21(13-16)24(28)25-34(31,32)19-6-4-3-5-7-19/h3-11,13-15H,12H2,1-2H3,(H,25,28)
InChIKeyAMZUVXTXXLKLON-UHFFFAOYSA-N
XLogP3.80
TPSA120.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.51
LogP ≤ 53.80
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-2-methoxy-5-[(1-methyl-5-nitroindol-3-yl)methyl]benzamide?
The IUPAC name of N-(benzenesulfonyl)-2-methoxy-5-[(1-methyl-5-nitroindol-3-yl)methyl]benzamide (CID 155384382) is N-(benzenesulfonyl)-2-methoxy-5-[(1-methyl-5-nitroindol-3-yl)methyl]benzamide.
What is the SMILES notation for N-(benzenesulfonyl)-2-methoxy-5-[(1-methyl-5-nitroindol-3-yl)methyl]benzamide?
The canonical SMILES for N-(benzenesulfonyl)-2-methoxy-5-[(1-methyl-5-nitroindol-3-yl)methyl]benzamide is COc1ccc(Cc2cn(C)c3ccc([N+](=O)[O-])cc23)cc1C(=O)NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(benzenesulfonyl)-2-methoxy-5-[(1-methyl-5-nitroindol-3-yl)methyl]benzamide?
The InChIKey is AMZUVXTXXLKLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O6S/c1-26-15-17(20-14-18(27(29)30)9-10-22(20)26)12-16-8-11-23(33-2)21(13-16)24(28)25-34(31,32)19-6-4-3-5-7-19/h3-11,13-15H,12H2,1-2H3,(H,25,28).
What are the key properties of N-(benzenesulfonyl)-2-methoxy-5-[(1-methyl-5-nitroindol-3-yl)methyl]benzamide?
N-(benzenesulfonyl)-2-methoxy-5-[(1-methyl-5-nitroindol-3-yl)methyl]benzamide has a molecular weight of 479.51 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-2-methoxy-5-[(1-methyl-5-nitroindol-3-yl)methyl]benzamide is sourced from PubChem (CID 155384382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).