5-chloro-1-[(5-fluoro-2-methylphenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide

C23H19ClFN3O4S — CID 58132239

IUPAC5-chloro-1-[(5-fluoro-2-methylphenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
SMILESCc1ccc(F)cc1Cn1c(C(=O)NS(C)(=O)=O)c(-c2ccc[nH]c2=O)c2cc(Cl)ccc21
InChIInChI=1S/C23H19ClFN3O4S/c1-13-5-7-16(25)10-14(13)12-28-19-8-6-15(24)11-18(19)20(17-4-3-9-26-22(17)29)21(28)23(30)27-33(2,31)32/h3-11H,12H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyRRFMUTDCUMOWBI-UHFFFAOYSA-N
MW487.94 g/mol
LogP3.84
Rot. Bonds5

About 5-chloro-1-[(5-fluoro-2-methylphenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide

5-chloro-1-[(5-fluoro-2-methylphenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide (PubChem CID 58132239) has the molecular formula C23H19ClFN3O4S and a molecular weight of 487.94 g/mol. Its IUPAC name is 5-chloro-1-[(5-fluoro-2-methylphenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-1-[(5-fluoro-2-methylphenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
PubChem CID58132239
Molecular FormulaC23H19ClFN3O4S
Molecular Weight487.94 g/mol
Exact Mass487.08
IUPAC Name5-chloro-1-[(5-fluoro-2-methylphenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
SMILESCc1ccc(F)cc1Cn1c(C(=O)NS(C)(=O)=O)c(-c2ccc[nH]c2=O)c2cc(Cl)ccc21
InChIInChI=1S/C23H19ClFN3O4S/c1-13-5-7-16(25)10-14(13)12-28-19-8-6-15(24)11-18(19)20(17-4-3-9-26-22(17)29)21(28)23(30)27-33(2,31)32/h3-11H,12H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyRRFMUTDCUMOWBI-UHFFFAOYSA-N
XLogP3.84
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.94
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(5-fluoro-2-methylphenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The IUPAC name of 5-chloro-1-[(5-fluoro-2-methylphenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide (CID 58132239) is 5-chloro-1-[(5-fluoro-2-methylphenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide.
What is the SMILES notation for 5-chloro-1-[(5-fluoro-2-methylphenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The canonical SMILES for 5-chloro-1-[(5-fluoro-2-methylphenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide is Cc1ccc(F)cc1Cn1c(C(=O)NS(C)(=O)=O)c(-c2ccc[nH]c2=O)c2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1-[(5-fluoro-2-methylphenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The InChIKey is RRFMUTDCUMOWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN3O4S/c1-13-5-7-16(25)10-14(13)12-28-19-8-6-15(24)11-18(19)20(17-4-3-9-26-22(17)29)21(28)23(30)27-33(2,31)32/h3-11H,12H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of 5-chloro-1-[(5-fluoro-2-methylphenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
5-chloro-1-[(5-fluoro-2-methylphenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide has a molecular weight of 487.94 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(5-fluoro-2-methylphenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide is sourced from PubChem (CID 58132239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).