1-(4-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)methanesulfonamide

C16H15FN2O3S — CID 41342517

IUPAC1-(4-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)methanesulfonamide
SMILESCN1C(=O)Cc2cc(NS(=O)(=O)Cc3ccc(F)cc3)ccc21
InChIInChI=1S/C16H15FN2O3S/c1-19-15-7-6-14(8-12(15)9-16(19)20)18-23(21,22)10-11-2-4-13(17)5-3-11/h2-8,18H,9-10H2,1H3
InChIKeyBMXYSNFXBCXVSQ-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.29
Rot. Bonds4

About 1-(4-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)methanesulfonamide

1-(4-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)methanesulfonamide (PubChem CID 41342517) has the molecular formula C16H15FN2O3S and a molecular weight of 334.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)methanesulfonamide
PubChem CID41342517
Molecular FormulaC16H15FN2O3S
Molecular Weight334.37 g/mol
Exact Mass334.08
IUPAC Name1-(4-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)methanesulfonamide
SMILESCN1C(=O)Cc2cc(NS(=O)(=O)Cc3ccc(F)cc3)ccc21
InChIInChI=1S/C16H15FN2O3S/c1-19-15-7-6-14(8-12(15)9-16(19)20)18-23(21,22)10-11-2-4-13(17)5-3-11/h2-8,18H,9-10H2,1H3
InChIKeyBMXYSNFXBCXVSQ-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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Related Compounds

1-(3-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)methanesulfonamide
CID 41342516
1-(4-fluorophenyl)-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]methanesulfonamide
CID 110781518
1-(3,5-dimethoxyphenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)methanesulfonamide
CID 41342526
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-1-(4-fluorophenyl)methanesulfonamide
CID 40889539
N-(1-methyl-2-oxo-3H-indol-5-yl)-1-(2-methylphenyl)methanesulfonamide
CID 41342513
3-(4-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)propanamide
CID 110777137
N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-1-(4-fluorophenyl)methanesulfonamide
CID 16926611
3-chloro-4-fluoro-N-(1-methyl-2-oxo-3H-indol-5-yl)benzenesulfonamide
CID 18570718
3,4-dimethyl-N-(1-methyl-2-oxo-3H-indol-5-yl)benzenesulfonamide
CID 18570723
1-methyl-5-(sulfanylmethylamino)-3H-indol-2-one
CID 115227603
5-(hydroxymethylamino)-1-methyl-3H-indol-2-one
CID 115228674
1-(3,5-difluorophenyl)-N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]methanesulfonamide
CID 71842852

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)methanesulfonamide (CID 41342517) is 1-(4-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)methanesulfonamide is CN1C(=O)Cc2cc(NS(=O)(=O)Cc3ccc(F)cc3)ccc21.
What is the InChIKey of 1-(4-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)methanesulfonamide?
The InChIKey is BMXYSNFXBCXVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O3S/c1-19-15-7-6-14(8-12(15)9-16(19)20)18-23(21,22)10-11-2-4-13(17)5-3-11/h2-8,18H,9-10H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)methanesulfonamide?
1-(4-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-(4-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)methanesulfonamide is sourced from PubChem (CID 41342517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).