3,4-dimethoxy-N-(2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide

C16H16N2O5S — CID 18570747

IUPAC3,4-dimethoxy-N-(2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N3)cc1OC
InChIInChI=1S/C16H16N2O5S/c1-22-14-6-4-12(9-15(14)23-2)24(20,21)18-11-3-5-13-10(7-11)8-16(19)17-13/h3-7,9,18H,8H2,1-2H3,(H,17,19)
InChIKeyRIJLFTUHADSAGP-UHFFFAOYSA-N
MW348.38 g/mol
LogP2.00
Rot. Bonds5

About 3,4-dimethoxy-N-(2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide

3,4-dimethoxy-N-(2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide (PubChem CID 18570747) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide
PubChem CID18570747
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC Name3,4-dimethoxy-N-(2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N3)cc1OC
InChIInChI=1S/C16H16N2O5S/c1-22-14-6-4-12(9-15(14)23-2)24(20,21)18-11-3-5-13-10(7-11)8-16(19)17-13/h3-7,9,18H,8H2,1-2H3,(H,17,19)
InChIKeyRIJLFTUHADSAGP-UHFFFAOYSA-N
XLogP2.00
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-(2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide
CID 18570748
N-(2-oxo-1,3-dihydroindol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 20933336
5-ethyl-2-methoxy-N-(2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide
CID 18570769
N-(3,4-dichlorophenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9055840
N-(5-ethyl-2-methoxyphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110777264
N-[4-(2-methoxyethylamino)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 112981006
N-(3-methylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 18197715
3-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-4H-1,4-benzoxazine-6-sulfonamide
CID 46962935
2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydroindole-5-sulfonamide
CID 110724194
N-(1H-indol-6-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110730882
N-(1,3-benzoxazol-6-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110728971
N-(3-bromophenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 8015526

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-(2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide (CID 18570747) is 3,4-dimethoxy-N-(2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-(2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-(2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N3)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide?
The InChIKey is RIJLFTUHADSAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S/c1-22-14-6-4-12(9-15(14)23-2)24(20,21)18-11-3-5-13-10(7-11)8-16(19)17-13/h3-7,9,18H,8H2,1-2H3,(H,17,19).
What are the key properties of 3,4-dimethoxy-N-(2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide?
3,4-dimethoxy-N-(2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide has a molecular weight of 348.38 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide is sourced from PubChem (CID 18570747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).