5-chloro-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylindole-2-carboxamide

C24H21ClFN3O4S — CID 57401246

IUPAC5-chloro-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylindole-2-carboxamide
SMILESCC(C)S(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2cc(Cl)ccc2n1Cc1ccccc1F
InChIInChI=1S/C24H21ClFN3O4S/c1-14(2)34(32,33)28-24(31)22-21(17-7-5-11-27-23(17)30)18-12-16(25)9-10-20(18)29(22)13-15-6-3-4-8-19(15)26/h3-12,14H,13H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyDOESXXRNYKGGNI-UHFFFAOYSA-N
MW501.97 g/mol
LogP4.31
Rot. Bonds6

About 5-chloro-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylindole-2-carboxamide

5-chloro-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylindole-2-carboxamide (PubChem CID 57401246) has the molecular formula C24H21ClFN3O4S and a molecular weight of 501.97 g/mol. Its IUPAC name is 5-chloro-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylindole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylindole-2-carboxamide
PubChem CID57401246
Molecular FormulaC24H21ClFN3O4S
Molecular Weight501.97 g/mol
Exact Mass501.09
IUPAC Name5-chloro-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylindole-2-carboxamide
SMILESCC(C)S(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2cc(Cl)ccc2n1Cc1ccccc1F
InChIInChI=1S/C24H21ClFN3O4S/c1-14(2)34(32,33)28-24(31)22-21(17-7-5-11-27-23(17)30)18-12-16(25)9-10-20(18)29(22)13-15-6-3-4-8-19(15)26/h3-12,14H,13H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyDOESXXRNYKGGNI-UHFFFAOYSA-N
XLogP4.31
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.97
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylindole-2-carboxamide?
The IUPAC name of 5-chloro-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylindole-2-carboxamide (CID 57401246) is 5-chloro-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylindole-2-carboxamide.
What is the SMILES notation for 5-chloro-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylindole-2-carboxamide?
The canonical SMILES for 5-chloro-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylindole-2-carboxamide is CC(C)S(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2cc(Cl)ccc2n1Cc1ccccc1F.
What is the InChIKey of 5-chloro-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylindole-2-carboxamide?
The InChIKey is DOESXXRNYKGGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFN3O4S/c1-14(2)34(32,33)28-24(31)22-21(17-7-5-11-27-23(17)30)18-12-16(25)9-10-20(18)29(22)13-15-6-3-4-8-19(15)26/h3-12,14H,13H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of 5-chloro-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylindole-2-carboxamide?
5-chloro-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylindole-2-carboxamide has a molecular weight of 501.97 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylindole-2-carboxamide is sourced from PubChem (CID 57401246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).