N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]quinoline-8-sulfonamide

C19H21N5O2S — CID 122299683

IUPACN-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]quinoline-8-sulfonamide
SMILESCC1CCN(c2ncc(NS(=O)(=O)c3cccc4cccnc34)cn2)CC1
InChIInChI=1S/C19H21N5O2S/c1-14-7-10-24(11-8-14)19-21-12-16(13-22-19)23-27(25,26)17-6-2-4-15-5-3-9-20-18(15)17/h2-6,9,12-14,23H,7-8,10-11H2,1H3
InChIKeyRNNFGIBPMXLFOB-UHFFFAOYSA-N
MW383.48 g/mol
LogP3.06
Rot. Bonds4

About N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]quinoline-8-sulfonamide

N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]quinoline-8-sulfonamide (PubChem CID 122299683) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]quinoline-8-sulfonamide
PubChem CID122299683
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC NameN-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]quinoline-8-sulfonamide
SMILESCC1CCN(c2ncc(NS(=O)(=O)c3cccc4cccnc34)cn2)CC1
InChIInChI=1S/C19H21N5O2S/c1-14-7-10-24(11-8-14)19-21-12-16(13-22-19)23-27(25,26)17-6-2-4-15-5-3-9-20-18(15)17/h2-6,9,12-14,23H,7-8,10-11H2,1H3
InChIKeyRNNFGIBPMXLFOB-UHFFFAOYSA-N
XLogP3.06
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]naphthalene-2-sulfonamide
CID 122299656
N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-8-sulfonamide
CID 5053869
4-fluoro-2-methyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 122299914
N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]quinoline-8-sulfonamide
CID 19684514
4-methoxy-2,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 122299666
N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-1H-imidazole-5-sulfonamide
CID 122299894
3,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-1H-pyrazole-4-sulfonamide
CID 122299890
N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-1-phenylmethanesulfonamide
CID 122299676
N-(1-methylpiperidin-4-yl)quinoline-8-sulfonamide
CID 22772541
N-(4-bromophenyl)quinoline-8-sulfonamide
CID 3423367
1-ethyl-2-methyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]imidazole-4-sulfonamide
CID 122299919
4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 122299921

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]quinoline-8-sulfonamide?
The IUPAC name of N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]quinoline-8-sulfonamide (CID 122299683) is N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]quinoline-8-sulfonamide?
The canonical SMILES for N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]quinoline-8-sulfonamide is CC1CCN(c2ncc(NS(=O)(=O)c3cccc4cccnc34)cn2)CC1.
What is the InChIKey of N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]quinoline-8-sulfonamide?
The InChIKey is RNNFGIBPMXLFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-14-7-10-24(11-8-14)19-21-12-16(13-22-19)23-27(25,26)17-6-2-4-15-5-3-9-20-18(15)17/h2-6,9,12-14,23H,7-8,10-11H2,1H3.
What are the key properties of N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]quinoline-8-sulfonamide?
N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]quinoline-8-sulfonamide has a molecular weight of 383.48 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]quinoline-8-sulfonamide is sourced from PubChem (CID 122299683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).