N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]quinoline-8-sulfonamide

C23H24N4O2S — CID 10295665

IUPACN-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]quinoline-8-sulfonamide
SMILESCN1CCC(c2c[nH]c3ccc(NS(=O)(=O)c4cccc5cccnc45)cc23)CC1
InChIInChI=1S/C23H24N4O2S/c1-27-12-9-16(10-13-27)20-15-25-21-8-7-18(14-19(20)21)26-30(28,29)22-6-2-4-17-5-3-11-24-23(17)22/h2-8,11,14-16,25-26H,9-10,12-13H2,1H3
InChIKeyMLLKJGGUSYHRQW-UHFFFAOYSA-N
MW420.54 g/mol
LogP4.33
Rot. Bonds4

About N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]quinoline-8-sulfonamide

N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]quinoline-8-sulfonamide (PubChem CID 10295665) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]quinoline-8-sulfonamide
PubChem CID10295665
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC NameN-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]quinoline-8-sulfonamide
SMILESCN1CCC(c2c[nH]c3ccc(NS(=O)(=O)c4cccc5cccnc45)cc23)CC1
InChIInChI=1S/C23H24N4O2S/c1-27-12-9-16(10-13-27)20-15-25-21-8-7-18(14-19(20)21)26-30(28,29)22-6-2-4-17-5-3-11-24-23(17)22/h2-8,11,14-16,25-26H,9-10,12-13H2,1H3
InChIKeyMLLKJGGUSYHRQW-UHFFFAOYSA-N
XLogP4.33
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]quinoline-8-sulfonamide
CID 10294044
N-(1-methylpiperidin-4-yl)quinoline-8-sulfonamide
CID 22772541
2-[4-[5-(trifluoromethoxy)-1H-indol-3-yl]piperidin-1-yl]ethanamine;N-[2-[4-[5-(trifluoromethoxy)-1H-indol-3-yl]piperidin-1-yl]ethyl]quinoline-8-sulfonamide
CID 159228278
N-(3-methyl-4-propan-2-ylphenyl)quinoline-8-sulfonamide
CID 5095146
N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]quinoline-8-sulfonamide
CID 19684514
N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]quinoline-8-sulfonamide
CID 122299683
4-methyl-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzenecarbothioamide
CID 140998243
5-bromo-3-(1-methylpiperidin-4-yl)-1H-indole
CID 15745344
N-(4-bromophenyl)quinoline-8-sulfonamide
CID 3423367
(4-methoxyphenyl) N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]carbamate
CID 22611431
N-[4-(quinolin-8-ylsulfonylamino)phenyl]acetamide
CID 2443922
3,5-dichloro-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide
CID 22611201

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]quinoline-8-sulfonamide?
The IUPAC name of N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]quinoline-8-sulfonamide (CID 10295665) is N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]quinoline-8-sulfonamide?
The canonical SMILES for N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]quinoline-8-sulfonamide is CN1CCC(c2c[nH]c3ccc(NS(=O)(=O)c4cccc5cccnc45)cc23)CC1.
What is the InChIKey of N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]quinoline-8-sulfonamide?
The InChIKey is MLLKJGGUSYHRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-27-12-9-16(10-13-27)20-15-25-21-8-7-18(14-19(20)21)26-30(28,29)22-6-2-4-17-5-3-11-24-23(17)22/h2-8,11,14-16,25-26H,9-10,12-13H2,1H3.
What are the key properties of N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]quinoline-8-sulfonamide?
N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]quinoline-8-sulfonamide has a molecular weight of 420.54 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]quinoline-8-sulfonamide is sourced from PubChem (CID 10295665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).