N-(dimethylsulfamoyl)-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide

C24H22FN5O6S — CID 58132616

IUPACN-(dimethylsulfamoyl)-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
SMILESCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)N(C)C)n2Cc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C24H22FN5O6S/c1-14-6-9-20-18(11-14)21(17-5-4-10-26-23(17)31)22(24(32)27-37(35,36)28(2)3)29(20)13-15-12-16(30(33)34)7-8-19(15)25/h4-12H,13H2,1-3H3,(H,26,31)(H,27,32)
InChIKeyDHZCCEXJXUBARB-UHFFFAOYSA-N
MW527.53 g/mol
LogP2.94
Rot. Bonds7

About N-(dimethylsulfamoyl)-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide

N-(dimethylsulfamoyl)-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide (PubChem CID 58132616) has the molecular formula C24H22FN5O6S and a molecular weight of 527.53 g/mol. Its IUPAC name is N-(dimethylsulfamoyl)-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide.

Molecular Properties

Compound NameN-(dimethylsulfamoyl)-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
PubChem CID58132616
Molecular FormulaC24H22FN5O6S
Molecular Weight527.53 g/mol
Exact Mass527.13
IUPAC NameN-(dimethylsulfamoyl)-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
SMILESCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)N(C)C)n2Cc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C24H22FN5O6S/c1-14-6-9-20-18(11-14)21(17-5-4-10-26-23(17)31)22(24(32)27-37(35,36)28(2)3)29(20)13-15-12-16(30(33)34)7-8-19(15)25/h4-12H,13H2,1-3H3,(H,26,31)(H,27,32)
InChIKeyDHZCCEXJXUBARB-UHFFFAOYSA-N
XLogP2.94
TPSA147.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.53
LogP ≤ 52.94
H-Bond Donors ≤ 52
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'}

Analyze N-(dimethylsulfamoyl)-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(dimethylsulfamoyl)-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The IUPAC name of N-(dimethylsulfamoyl)-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide (CID 58132616) is N-(dimethylsulfamoyl)-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide.
What is the SMILES notation for N-(dimethylsulfamoyl)-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The canonical SMILES for N-(dimethylsulfamoyl)-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide is Cc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)N(C)C)n2Cc1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of N-(dimethylsulfamoyl)-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The InChIKey is DHZCCEXJXUBARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O6S/c1-14-6-9-20-18(11-14)21(17-5-4-10-26-23(17)31)22(24(32)27-37(35,36)28(2)3)29(20)13-15-12-16(30(33)34)7-8-19(15)25/h4-12H,13H2,1-3H3,(H,26,31)(H,27,32).
What are the key properties of N-(dimethylsulfamoyl)-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
N-(dimethylsulfamoyl)-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide has a molecular weight of 527.53 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylsulfamoyl)-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide is sourced from PubChem (CID 58132616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).