N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

C21H23N3O4S — CID 3239871

IUPACN-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCC1Cc2ccccc2N1C(=O)CCNS(=O)(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C21H23N3O4S/c1-14-12-16-4-2-3-5-19(16)24(14)21(26)10-11-22-29(27,28)17-7-8-18-15(13-17)6-9-20(25)23-18/h2-5,7-8,13-14,22H,6,9-12H2,1H3,(H,23,25)
InChIKeyHKUMEUCCJFUXFF-UHFFFAOYSA-N
MW413.50 g/mol
LogP2.22
Rot. Bonds5

About N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (PubChem CID 3239871) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
PubChem CID3239871
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC NameN-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCC1Cc2ccccc2N1C(=O)CCNS(=O)(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C21H23N3O4S/c1-14-12-16-4-2-3-5-19(16)24(14)21(26)10-11-22-29(27,28)17-7-8-18-15(13-17)6-9-20(25)23-18/h2-5,7-8,13-14,22H,6,9-12H2,1H3,(H,23,25)
InChIKeyHKUMEUCCJFUXFF-UHFFFAOYSA-N
XLogP2.22
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The IUPAC name of N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (CID 3239871) is N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.
What is the SMILES notation for N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The canonical SMILES for N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is CC1Cc2ccccc2N1C(=O)CCNS(=O)(=O)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The InChIKey is HKUMEUCCJFUXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-14-12-16-4-2-3-5-19(16)24(14)21(26)10-11-22-29(27,28)17-7-8-18-15(13-17)6-9-20(25)23-18/h2-5,7-8,13-14,22H,6,9-12H2,1H3,(H,23,25).
What are the key properties of N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide has a molecular weight of 413.50 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 3239871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).