1-(3-chloro-4-fluorophenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]methanesulfonamide

C17H16ClFN2O3S — CID 126769243

IUPAC1-(3-chloro-4-fluorophenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]methanesulfonamide
SMILESO=C1Cc2ccccc2N1CCNS(=O)(=O)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H16ClFN2O3S/c18-14-9-12(5-6-15(14)19)11-25(23,24)20-7-8-21-16-4-2-1-3-13(16)10-17(21)22/h1-6,9,20H,7-8,10-11H2
InChIKeyBIKJFEUFVIMZJU-UHFFFAOYSA-N
MW382.84 g/mol
LogP2.49
Rot. Bonds6

About 1-(3-chloro-4-fluorophenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]methanesulfonamide

1-(3-chloro-4-fluorophenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]methanesulfonamide (PubChem CID 126769243) has the molecular formula C17H16ClFN2O3S and a molecular weight of 382.84 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]methanesulfonamide
PubChem CID126769243
Molecular FormulaC17H16ClFN2O3S
Molecular Weight382.84 g/mol
Exact Mass382.06
IUPAC Name1-(3-chloro-4-fluorophenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]methanesulfonamide
SMILESO=C1Cc2ccccc2N1CCNS(=O)(=O)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H16ClFN2O3S/c18-14-9-12(5-6-15(14)19)11-25(23,24)20-7-8-21-16-4-2-1-3-13(16)10-17(21)22/h1-6,9,20H,7-8,10-11H2
InChIKeyBIKJFEUFVIMZJU-UHFFFAOYSA-N
XLogP2.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.84
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]methanesulfonamide (CID 126769243) is 1-(3-chloro-4-fluorophenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]methanesulfonamide is O=C1Cc2ccccc2N1CCNS(=O)(=O)Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]methanesulfonamide?
The InChIKey is BIKJFEUFVIMZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O3S/c18-14-9-12(5-6-15(14)19)11-25(23,24)20-7-8-21-16-4-2-1-3-13(16)10-17(21)22/h1-6,9,20H,7-8,10-11H2.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]methanesulfonamide?
1-(3-chloro-4-fluorophenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]methanesulfonamide has a molecular weight of 382.84 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 126769243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).