N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]quinoline-8-sulfonamide

C21H22N4O2S — CID 10294044

IUPACN-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]quinoline-8-sulfonamide
SMILESCN(C)CCc1c[nH]c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc12
InChIInChI=1S/C21H22N4O2S/c1-25(2)12-10-16-14-23-19-9-8-17(13-18(16)19)24-28(26,27)20-7-3-5-15-6-4-11-22-21(15)20/h3-9,11,13-14,23-24H,10,12H2,1-2H3
InChIKeyXPRKZGSAGJCUOL-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.62
Rot. Bonds6

About N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]quinoline-8-sulfonamide

N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]quinoline-8-sulfonamide (PubChem CID 10294044) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]quinoline-8-sulfonamide
PubChem CID10294044
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC NameN-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]quinoline-8-sulfonamide
SMILESCN(C)CCc1c[nH]c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc12
InChIInChI=1S/C21H22N4O2S/c1-25(2)12-10-16-14-23-19-9-8-17(13-18(16)19)24-28(26,27)20-7-3-5-15-6-4-11-22-21(15)20/h3-9,11,13-14,23-24H,10,12H2,1-2H3
InChIKeyXPRKZGSAGJCUOL-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]sulfamoyl]quinolin-8-amine
CID 69262416
5-chloro-N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]naphthalene-1-sulfonamide
CID 10224430
N-[3-(2-aminoethyl)-1H-indol-5-yl]naphthalene-1-sulfonamide
CID 24989478
N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]quinoline-8-sulfonamide
CID 5228855
N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]quinoline-8-sulfonamide
CID 10295665
3-[2-(dimethylamino)ethyl]-N-[(5-pyridin-2-ylthiophen-2-yl)sulfamoyl]-1H-indol-5-amine
CID 69262700
N-[3-[2-(dimethylamino)ethyl]-1H-indol-6-yl]-5-pyridin-2-ylthiophene-2-sulfonamide
CID 69265044
N-[3-[2-(diethylamino)ethyl]-1H-indol-6-yl]naphthalene-1-sulfonamide
CID 52920134
3-[2-(dimethylamino)ethyl]-N-(4-ethoxyphenyl)-1H-indole-5-sulfonamide
CID 19844112
N-(4-bromophenyl)quinoline-8-sulfonamide
CID 3423367
N,N-dimethyl-2-[5-(naphthalen-1-ylsulfonylamino)-1H-indol-3-yl]-2-oxoacetamide
CID 11510027
N-methyl-N-[4-(quinolin-8-ylsulfonylamino)phenyl]acetamide
CID 22775261

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]quinoline-8-sulfonamide?
The IUPAC name of N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]quinoline-8-sulfonamide (CID 10294044) is N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]quinoline-8-sulfonamide?
The canonical SMILES for N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]quinoline-8-sulfonamide is CN(C)CCc1c[nH]c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc12.
What is the InChIKey of N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]quinoline-8-sulfonamide?
The InChIKey is XPRKZGSAGJCUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S/c1-25(2)12-10-16-14-23-19-9-8-17(13-18(16)19)24-28(26,27)20-7-3-5-15-6-4-11-22-21(15)20/h3-9,11,13-14,23-24H,10,12H2,1-2H3.
What are the key properties of N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]quinoline-8-sulfonamide?
N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]quinoline-8-sulfonamide has a molecular weight of 394.50 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]quinoline-8-sulfonamide is sourced from PubChem (CID 10294044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).