1-(3-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)methanesulfonamide

C16H15FN2O3S — CID 41342516

IUPAC1-(3-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)methanesulfonamide
SMILESCN1C(=O)Cc2cc(NS(=O)(=O)Cc3cccc(F)c3)ccc21
InChIInChI=1S/C16H15FN2O3S/c1-19-15-6-5-14(8-12(15)9-16(19)20)18-23(21,22)10-11-3-2-4-13(17)7-11/h2-8,18H,9-10H2,1H3
InChIKeyMZIKAMHAKJLQMF-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.29
Rot. Bonds4

About 1-(3-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)methanesulfonamide

1-(3-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)methanesulfonamide (PubChem CID 41342516) has the molecular formula C16H15FN2O3S and a molecular weight of 334.37 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)methanesulfonamide
PubChem CID41342516
Molecular FormulaC16H15FN2O3S
Molecular Weight334.37 g/mol
Exact Mass334.08
IUPAC Name1-(3-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)methanesulfonamide
SMILESCN1C(=O)Cc2cc(NS(=O)(=O)Cc3cccc(F)c3)ccc21
InChIInChI=1S/C16H15FN2O3S/c1-19-15-6-5-14(8-12(15)9-16(19)20)18-23(21,22)10-11-3-2-4-13(17)7-11/h2-8,18H,9-10H2,1H3
InChIKeyMZIKAMHAKJLQMF-UHFFFAOYSA-N
XLogP2.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)methanesulfonamide?
The IUPAC name of 1-(3-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)methanesulfonamide (CID 41342516) is 1-(3-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)methanesulfonamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)methanesulfonamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)methanesulfonamide is CN1C(=O)Cc2cc(NS(=O)(=O)Cc3cccc(F)c3)ccc21.
What is the InChIKey of 1-(3-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)methanesulfonamide?
The InChIKey is MZIKAMHAKJLQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O3S/c1-19-15-6-5-14(8-12(15)9-16(19)20)18-23(21,22)10-11-3-2-4-13(17)7-11/h2-8,18H,9-10H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)methanesulfonamide?
1-(3-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)methanesulfonamide has a molecular weight of 334.37 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)methanesulfonamide is sourced from PubChem (CID 41342516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).