N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1-phenylmethanesulfonamide

C16H16N2O3S — CID 110405988

IUPACN-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1-phenylmethanesulfonamide
SMILESCC1C(=O)Nc2ccc(NS(=O)(=O)Cc3ccccc3)cc21
InChIInChI=1S/C16H16N2O3S/c1-11-14-9-13(7-8-15(14)17-16(11)19)18-22(20,21)10-12-5-3-2-4-6-12/h2-9,11,18H,10H2,1H3,(H,17,19)
InChIKeyHEZJPFDSHMDWBJ-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.68
Rot. Bonds4

About N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1-phenylmethanesulfonamide

N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1-phenylmethanesulfonamide (PubChem CID 110405988) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1-phenylmethanesulfonamide
PubChem CID110405988
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC NameN-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1-phenylmethanesulfonamide
SMILESCC1C(=O)Nc2ccc(NS(=O)(=O)Cc3ccccc3)cc21
InChIInChI=1S/C16H16N2O3S/c1-11-14-9-13(7-8-15(14)17-16(11)19)18-22(20,21)10-12-5-3-2-4-6-12/h2-9,11,18H,10H2,1H3,(H,17,19)
InChIKeyHEZJPFDSHMDWBJ-UHFFFAOYSA-N
XLogP2.68
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1-(2-methylphenyl)methanesulfonamide
CID 110405989
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1-phenylmethanesulfonamide
CID 8844758
N-[3-(1,3-benzothiazol-2-yl)-2-oxo-1,3-dihydroindol-5-yl]-1-phenylmethanesulfonamide
CID 11611825
1-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-3-phenylurea
CID 110405906
(3R)-3-methyl-2-oxo-N-(2-phenylethyl)-1,3-dihydroindole-5-sulfonamide
CID 9186065
N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzamide
CID 110405864
4-methoxy-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide
CID 110405960
N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-4-phenoxybutanamide
CID 110405900
N-[3-(4-anilinoanilino)phenyl]-1-phenylmethanesulfonamide
CID 67859373
N-(3-bromo-4-methylphenyl)-1-phenylmethanesulfonamide
CID 55202713
N-(2H-benzotriazol-5-yl)-1-phenylmethanesulfonamide
CID 74225109
(3R)-5-(4-benzylpiperazin-1-yl)sulfonyl-3-methyl-1,3-dihydroindol-2-one
CID 9186077

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1-phenylmethanesulfonamide (CID 110405988) is N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1-phenylmethanesulfonamide is CC1C(=O)Nc2ccc(NS(=O)(=O)Cc3ccccc3)cc21.
What is the InChIKey of N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1-phenylmethanesulfonamide?
The InChIKey is HEZJPFDSHMDWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-11-14-9-13(7-8-15(14)17-16(11)19)18-22(20,21)10-12-5-3-2-4-6-12/h2-9,11,18H,10H2,1H3,(H,17,19).
What are the key properties of N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1-phenylmethanesulfonamide?
N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1-phenylmethanesulfonamide has a molecular weight of 316.38 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 110405988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).