N-[2-(dimethylamino)-2-quinolin-8-ylethyl]-1H-indole-6-sulfonamide

C21H22N4O2S — CID 167001344

IUPACN-[2-(dimethylamino)-2-quinolin-8-ylethyl]-1H-indole-6-sulfonamide
SMILESCN(C)C(CNS(=O)(=O)c1ccc2cc[nH]c2c1)c1cccc2cccnc12
InChIInChI=1S/C21H22N4O2S/c1-25(2)20(18-7-3-5-16-6-4-11-23-21(16)18)14-24-28(26,27)17-9-8-15-10-12-22-19(15)13-17/h3-13,20,22,24H,14H2,1-2H3
InChIKeyYGKBFAJTEBKCIY-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.30
Rot. Bonds6

About N-[2-(dimethylamino)-2-quinolin-8-ylethyl]-1H-indole-6-sulfonamide

N-[2-(dimethylamino)-2-quinolin-8-ylethyl]-1H-indole-6-sulfonamide (PubChem CID 167001344) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-quinolin-8-ylethyl]-1H-indole-6-sulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-quinolin-8-ylethyl]-1H-indole-6-sulfonamide
PubChem CID167001344
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC NameN-[2-(dimethylamino)-2-quinolin-8-ylethyl]-1H-indole-6-sulfonamide
SMILESCN(C)C(CNS(=O)(=O)c1ccc2cc[nH]c2c1)c1cccc2cccnc12
InChIInChI=1S/C21H22N4O2S/c1-25(2)20(18-7-3-5-16-6-4-11-23-21(16)18)14-24-28(26,27)17-9-8-15-10-12-22-19(15)13-17/h3-13,20,22,24H,14H2,1-2H3
InChIKeyYGKBFAJTEBKCIY-UHFFFAOYSA-N
XLogP3.30
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-methylindol-3-yl)-2-[methyl(propyl)amino]ethyl]-1H-indole-6-sulfonamide
CID 170274125
N-[2-(methylamino)-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide
CID 162743480
N-pyridin-4-yl-1H-indole-6-sulfonamide
CID 118077965
N-(2-methylpropyl)quinoline-8-sulfonamide
CID 19681190
N-[2-(azetidin-1-yl)-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide
CID 170162701
N-[2-(dimethylamino)-2-naphthalen-1-ylethyl]-4-nitrobenzenesulfonamide
CID 16831470
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 55511899
N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]naphthalene-2-sulfonamide
CID 7497879
3,4-dimethyl-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide
CID 113102271
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 55511967
N-(2-quinolin-8-yloxyethyl)-1,3-benzodioxole-5-sulfonamide
CID 113102285
N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide
CID 167001565

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-quinolin-8-ylethyl]-1H-indole-6-sulfonamide?
The IUPAC name of N-[2-(dimethylamino)-2-quinolin-8-ylethyl]-1H-indole-6-sulfonamide (CID 167001344) is N-[2-(dimethylamino)-2-quinolin-8-ylethyl]-1H-indole-6-sulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-quinolin-8-ylethyl]-1H-indole-6-sulfonamide?
The canonical SMILES for N-[2-(dimethylamino)-2-quinolin-8-ylethyl]-1H-indole-6-sulfonamide is CN(C)C(CNS(=O)(=O)c1ccc2cc[nH]c2c1)c1cccc2cccnc12.
What is the InChIKey of N-[2-(dimethylamino)-2-quinolin-8-ylethyl]-1H-indole-6-sulfonamide?
The InChIKey is YGKBFAJTEBKCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S/c1-25(2)20(18-7-3-5-16-6-4-11-23-21(16)18)14-24-28(26,27)17-9-8-15-10-12-22-19(15)13-17/h3-13,20,22,24H,14H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)-2-quinolin-8-ylethyl]-1H-indole-6-sulfonamide?
N-[2-(dimethylamino)-2-quinolin-8-ylethyl]-1H-indole-6-sulfonamide has a molecular weight of 394.50 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-quinolin-8-ylethyl]-1H-indole-6-sulfonamide is sourced from PubChem (CID 167001344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).