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

C20H22N4O2S — CID 122299656

IUPACN-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]naphthalene-2-sulfonamide
SMILESCC1CCN(c2ncc(NS(=O)(=O)c3ccc4ccccc4c3)cn2)CC1
InChIInChI=1S/C20H22N4O2S/c1-15-8-10-24(11-9-15)20-21-13-18(14-22-20)23-27(25,26)19-7-6-16-4-2-3-5-17(16)12-19/h2-7,12-15,23H,8-11H2,1H3
InChIKeyYHUKNMQSQJRXFR-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.67
Rot. Bonds4

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

N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]naphthalene-2-sulfonamide (PubChem CID 122299656) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]naphthalene-2-sulfonamide
PubChem CID122299656
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC NameN-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]naphthalene-2-sulfonamide
SMILESCC1CCN(c2ncc(NS(=O)(=O)c3ccc4ccccc4c3)cn2)CC1
InChIInChI=1S/C20H22N4O2S/c1-15-8-10-24(11-9-15)20-21-13-18(14-22-20)23-27(25,26)19-7-6-16-4-2-3-5-17(16)12-19/h2-7,12-15,23H,8-11H2,1H3
InChIKeyYHUKNMQSQJRXFR-UHFFFAOYSA-N
XLogP3.67
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 122299921
N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]quinoline-8-sulfonamide
CID 122299683
N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-1-phenylmethanesulfonamide
CID 122299676
4-fluoro-2-methyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 122299914
N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-1H-imidazole-5-sulfonamide
CID 122299894
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)naphthalene-2-sulfonamide
CID 122356520
1-ethyl-2-methyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]imidazole-4-sulfonamide
CID 122299919
1-(2-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanesulfonamide
CID 122299903
4-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 91968264
3,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-1H-pyrazole-4-sulfonamide
CID 122299890
4-methoxy-2,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 122299666
3-fluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 91968227

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]naphthalene-2-sulfonamide?
The IUPAC name of N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]naphthalene-2-sulfonamide (CID 122299656) is N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]naphthalene-2-sulfonamide is CC1CCN(c2ncc(NS(=O)(=O)c3ccc4ccccc4c3)cn2)CC1.
What is the InChIKey of N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]naphthalene-2-sulfonamide?
The InChIKey is YHUKNMQSQJRXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-15-8-10-24(11-9-15)20-21-13-18(14-22-20)23-27(25,26)19-7-6-16-4-2-3-5-17(16)12-19/h2-7,12-15,23H,8-11H2,1H3.
What are the key properties of N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]naphthalene-2-sulfonamide?
N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]naphthalene-2-sulfonamide has a molecular weight of 382.49 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 122299656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).