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

C24H20FN3O6S — CID 162655473

IUPACN-(2-fluorophenyl)sulfonyl-2-methoxy-5-[(1-methyl-5-nitroindol-3-yl)methyl]benzamide
SMILESCOc1ccc(Cc2cn(C)c3ccc([N+](=O)[O-])cc23)cc1C(=O)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C24H20FN3O6S/c1-27-14-16(18-13-17(28(30)31)8-9-21(18)27)11-15-7-10-22(34-2)19(12-15)24(29)26-35(32,33)23-6-4-3-5-20(23)25/h3-10,12-14H,11H2,1-2H3,(H,26,29)
InChIKeyFTAABRYOAHZIEM-UHFFFAOYSA-N
MW497.50 g/mol
LogP3.94
Rot. Bonds7

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

N-(2-fluorophenyl)sulfonyl-2-methoxy-5-[(1-methyl-5-nitroindol-3-yl)methyl]benzamide (PubChem CID 162655473) has the molecular formula C24H20FN3O6S and a molecular weight of 497.50 g/mol. Its IUPAC name is N-(2-fluorophenyl)sulfonyl-2-methoxy-5-[(1-methyl-5-nitroindol-3-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)sulfonyl-2-methoxy-5-[(1-methyl-5-nitroindol-3-yl)methyl]benzamide
PubChem CID162655473
Molecular FormulaC24H20FN3O6S
Molecular Weight497.50 g/mol
Exact Mass497.11
IUPAC NameN-(2-fluorophenyl)sulfonyl-2-methoxy-5-[(1-methyl-5-nitroindol-3-yl)methyl]benzamide
SMILESCOc1ccc(Cc2cn(C)c3ccc([N+](=O)[O-])cc23)cc1C(=O)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C24H20FN3O6S/c1-27-14-16(18-13-17(28(30)31)8-9-21(18)27)11-15-7-10-22(34-2)19(12-15)24(29)26-35(32,33)23-6-4-3-5-20(23)25/h3-10,12-14H,11H2,1-2H3,(H,26,29)
InChIKeyFTAABRYOAHZIEM-UHFFFAOYSA-N
XLogP3.94
TPSA120.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.50
LogP ≤ 53.94
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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Related Compounds

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CID 19793631
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CID 154975996
N-(2-ethenoxyphenyl)sulfonyl-3-methoxy-4-[(1-methyl-5-nitroindol-3-yl)methyl]benzamide
CID 67916721
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CID 67916609
2-methoxy-5-[(1-methylindol-3-yl)methyl]-N-naphthalen-2-ylsulfonylbenzamide
CID 162648592
[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(2-methoxy-5-nitrophenyl)methanone
CID 26261350
3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methylindole-5-carboxylic acid
CID 15104475
3-methoxy-4-[(1-methylindol-3-yl)methyl]-N-(2-methylphenyl)sulfonylbenzamide
CID 91803930
methyl 2-(1-methyl-5-nitroindol-3-yl)-2-oxoacetate
CID 10849035
N-[2-(4-fluorophenyl)ethyl]-2-methoxy-5-nitrobenzamide
CID 9210501
N-[(2-fluorophenyl)methyl]-2-methoxy-5-nitroaniline
CID 792668
1-(2-methoxy-4-nitrophenyl)-3-[(1-methylindole-3-carbonyl)amino]thiourea
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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)sulfonyl-2-methoxy-5-[(1-methyl-5-nitroindol-3-yl)methyl]benzamide?
The IUPAC name of N-(2-fluorophenyl)sulfonyl-2-methoxy-5-[(1-methyl-5-nitroindol-3-yl)methyl]benzamide (CID 162655473) is N-(2-fluorophenyl)sulfonyl-2-methoxy-5-[(1-methyl-5-nitroindol-3-yl)methyl]benzamide.
What is the SMILES notation for N-(2-fluorophenyl)sulfonyl-2-methoxy-5-[(1-methyl-5-nitroindol-3-yl)methyl]benzamide?
The canonical SMILES for N-(2-fluorophenyl)sulfonyl-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)c1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)sulfonyl-2-methoxy-5-[(1-methyl-5-nitroindol-3-yl)methyl]benzamide?
The InChIKey is FTAABRYOAHZIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O6S/c1-27-14-16(18-13-17(28(30)31)8-9-21(18)27)11-15-7-10-22(34-2)19(12-15)24(29)26-35(32,33)23-6-4-3-5-20(23)25/h3-10,12-14H,11H2,1-2H3,(H,26,29).
What are the key properties of N-(2-fluorophenyl)sulfonyl-2-methoxy-5-[(1-methyl-5-nitroindol-3-yl)methyl]benzamide?
N-(2-fluorophenyl)sulfonyl-2-methoxy-5-[(1-methyl-5-nitroindol-3-yl)methyl]benzamide has a molecular weight of 497.50 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)sulfonyl-2-methoxy-5-[(1-methyl-5-nitroindol-3-yl)methyl]benzamide is sourced from PubChem (CID 162655473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).