N-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]quinoline-8-sulfonamide

C21H21N3O3S — CID 6620122

IUPACN-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]quinoline-8-sulfonamide
SMILESCC1Cc2ccccc2N1C(=O)CN(C)S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C21H21N3O3S/c1-15-13-17-7-3-4-10-18(17)24(15)20(25)14-23(2)28(26,27)19-11-5-8-16-9-6-12-22-21(16)19/h3-12,15H,13-14H2,1-2H3
InChIKeyTYSLUJDSUVKGBT-UHFFFAOYSA-N
MW395.48 g/mol
LogP2.83
Rot. Bonds4

About N-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]quinoline-8-sulfonamide

N-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]quinoline-8-sulfonamide (PubChem CID 6620122) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]quinoline-8-sulfonamide
PubChem CID6620122
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC NameN-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]quinoline-8-sulfonamide
SMILESCC1Cc2ccccc2N1C(=O)CN(C)S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C21H21N3O3S/c1-15-13-17-7-3-4-10-18(17)24(15)20(25)14-23(2)28(26,27)19-11-5-8-16-9-6-12-22-21(16)19/h3-12,15H,13-14H2,1-2H3
InChIKeyTYSLUJDSUVKGBT-UHFFFAOYSA-N
XLogP2.83
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Methyl-1-piperazinyl)-1-(phenylsulfonyl)-1H-indole
CID 10108884
(S)-N-(2,5-dimethylphenyl)-1-(quinolin-8-ylsulfonyl)pyrrolidine-2-carboxamide
CID 49842897
5-[1-(Benzenesulfonyl)indol-3-yl]-2-tert-butyl-1-oxo-1,2-thiazol-3-one
CID 155531183
5-[1-(Benzenesulfonyl)indol-3-yl]-2-tert-butyl-1,1-dioxo-1,2-thiazol-3-one
CID 155533590
8-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)quinoline
CID 2870276
N-allyl-N-phenylquinoline-8-sulfonamide
CID 6621373
[4-(2-Fluorophenyl)piperazin-1-yl]-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanone
CID 5308986
8-(2,3-dihydro-1H-indol-1-ylsulfonyl)quinoline
CID 659903
8-(4-Methylpiperazin-1-yl)sulfonylquinoline
CID 671587
4-Phenyl-1-(8-quinolylsulfonyl)piperazine
CID 1356333
3-(1-Methyl-1,2,3,6-tetrahydro-4-pyridinyl)-1-phenylsulfonylindole
CID 9950402
3-[(4-Methylpiperazin-1-yl)methyl]-1-(4-propan-2-ylphenyl)sulfonylindole
CID 9979009

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]quinoline-8-sulfonamide?
The IUPAC name of N-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]quinoline-8-sulfonamide (CID 6620122) is N-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]quinoline-8-sulfonamide?
The canonical SMILES for N-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]quinoline-8-sulfonamide is CC1Cc2ccccc2N1C(=O)CN(C)S(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of N-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]quinoline-8-sulfonamide?
The InChIKey is TYSLUJDSUVKGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-15-13-17-7-3-4-10-18(17)24(15)20(25)14-23(2)28(26,27)19-11-5-8-16-9-6-12-22-21(16)19/h3-12,15H,13-14H2,1-2H3.
What are the key properties of N-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]quinoline-8-sulfonamide?
N-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]quinoline-8-sulfonamide has a molecular weight of 395.48 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]quinoline-8-sulfonamide is sourced from PubChem (CID 6620122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).