N-[2-(1H-indol-3-yl)ethyl]-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide

C21H23N3O3S — CID 91958434

IUPACN-[2-(1H-indol-3-yl)ethyl]-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide
SMILESCC1(C)CC(=O)Nc2ccc(S(=O)(=O)NCCc3c[nH]c4ccccc34)cc21
InChIInChI=1S/C21H23N3O3S/c1-21(2)12-20(25)24-19-8-7-15(11-17(19)21)28(26,27)23-10-9-14-13-22-18-6-4-3-5-16(14)18/h3-8,11,13,22-23H,9-10,12H2,1-2H3,(H,24,25)
InChIKeyPDYPMWPUFVCQKR-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.31
Rot. Bonds5

About N-[2-(1H-indol-3-yl)ethyl]-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide

N-[2-(1H-indol-3-yl)ethyl]-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide (PubChem CID 91958434) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide
PubChem CID91958434
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide
SMILESCC1(C)CC(=O)Nc2ccc(S(=O)(=O)NCCc3c[nH]c4ccccc34)cc21
InChIInChI=1S/C21H23N3O3S/c1-21(2)12-20(25)24-19-8-7-15(11-17(19)21)28(26,27)23-10-9-14-13-22-18-6-4-3-5-16(14)18/h3-8,11,13,22-23H,9-10,12H2,1-2H3,(H,24,25)
InChIKeyPDYPMWPUFVCQKR-UHFFFAOYSA-N
XLogP3.31
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[2-(1H-indol-3-yl)ethyl]-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide with MolForge

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 25039281
4-chloro-N-[2-(1H-indol-3-yl)ethyl]-3-methylbenzenesulfonamide
CID 113083568
N-[2-(1H-indol-3-yl)ethyl]-3-nitrobenzenesulfonamide
CID 19590106
4,4-dimethyl-N-[3-(3-methylindazol-2-yl)propyl]-2-oxo-1,3-dihydroquinoline-6-sulfonamide
CID 91958453
4-(bromomethyl)-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2737664
N-[2-(1H-indol-3-yl)ethyl]-2,4,5-trimethylbenzenesulfonamide
CID 35539650
N-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113086391
1-acetyl-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 78820847
2,6-difluoro-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 25035880
N-[2-(1H-indol-3-yl)ethyl]cyclopropanesulfonamide
CID 113250435
N-cyclopropyl-4-[2-(1H-indol-3-yl)ethylsulfamoyl]benzamide
CID 109058300
3-chloro-4-(difluoromethoxy)-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 78871454

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide (CID 91958434) is N-[2-(1H-indol-3-yl)ethyl]-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide is CC1(C)CC(=O)Nc2ccc(S(=O)(=O)NCCc3c[nH]c4ccccc34)cc21.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide?
The InChIKey is PDYPMWPUFVCQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-21(2)12-20(25)24-19-8-7-15(11-17(19)21)28(26,27)23-10-9-14-13-22-18-6-4-3-5-16(14)18/h3-8,11,13,22-23H,9-10,12H2,1-2H3,(H,24,25).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide?
N-[2-(1H-indol-3-yl)ethyl]-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide has a molecular weight of 397.50 g/mol, XLogP of 3.31, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide is sourced from PubChem (CID 91958434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).