5-methoxy-2-methyl-N-(4-piperidin-2-ylpyrimidin-2-yl)benzenesulfonamide

C17H22N4O3S — CID 166305722

IUPAC5-methoxy-2-methyl-N-(4-piperidin-2-ylpyrimidin-2-yl)benzenesulfonamide
SMILESCOc1ccc(C)c(S(=O)(=O)Nc2nccc(C3CCCCN3)n2)c1
InChIInChI=1S/C17H22N4O3S/c1-12-6-7-13(24-2)11-16(12)25(22,23)21-17-19-10-8-15(20-17)14-5-3-4-9-18-14/h6-8,10-11,14,18H,3-5,9H2,1-2H3,(H,19,20,21)
InChIKeyPRDVHELOMHDYOG-UHFFFAOYSA-N
MW362.46 g/mol
LogP2.41
Rot. Bonds5

About 5-methoxy-2-methyl-N-(4-piperidin-2-ylpyrimidin-2-yl)benzenesulfonamide

5-methoxy-2-methyl-N-(4-piperidin-2-ylpyrimidin-2-yl)benzenesulfonamide (PubChem CID 166305722) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is 5-methoxy-2-methyl-N-(4-piperidin-2-ylpyrimidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-methoxy-2-methyl-N-(4-piperidin-2-ylpyrimidin-2-yl)benzenesulfonamide
PubChem CID166305722
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name5-methoxy-2-methyl-N-(4-piperidin-2-ylpyrimidin-2-yl)benzenesulfonamide
SMILESCOc1ccc(C)c(S(=O)(=O)Nc2nccc(C3CCCCN3)n2)c1
InChIInChI=1S/C17H22N4O3S/c1-12-6-7-13(24-2)11-16(12)25(22,23)21-17-19-10-8-15(20-17)14-5-3-4-9-18-14/h6-8,10-11,14,18H,3-5,9H2,1-2H3,(H,19,20,21)
InChIKeyPRDVHELOMHDYOG-UHFFFAOYSA-N
XLogP2.41
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-4-[(2S)-piperidin-2-yl]pyrimidin-2-amine
CID 95827769
N-(4-pyrrolidin-2-ylpyrimidin-2-yl)cyclopropanesulfonamide
CID 167035052
2-methoxy-3-methyl-6-piperidin-2-ylpyridine
CID 84674495
4-piperidin-2-yl-N-pyrazin-2-ylpyrimidin-2-amine
CID 110266729
5-methoxy-N-[2-[(5-methoxy-2-methylphenyl)sulfonylamino]ethyl]-2-methylbenzenesulfonamide
CID 58807083
(2S)-2-(4-methoxy-2-methylphenyl)azepane
CID 26189003
N-pyrimidin-2-yl-4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-amine
CID 95836667
2,5-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683567
5-methyl-N-(4-piperidin-2-ylpyrimidin-2-yl)-1,3-thiazol-2-amine;dihydrochloride
CID 171700358
2,3-dimethyl-6-piperidin-2-ylpyridine
CID 84662827
(2R)-2-(6-methoxynaphthalen-2-yl)piperidine
CID 171195323
methyl 2-[(2S)-piperidin-2-yl]pyridine-4-carboxylate
CID 131408297

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-N-(4-piperidin-2-ylpyrimidin-2-yl)benzenesulfonamide?
The IUPAC name of 5-methoxy-2-methyl-N-(4-piperidin-2-ylpyrimidin-2-yl)benzenesulfonamide (CID 166305722) is 5-methoxy-2-methyl-N-(4-piperidin-2-ylpyrimidin-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-methoxy-2-methyl-N-(4-piperidin-2-ylpyrimidin-2-yl)benzenesulfonamide?
The canonical SMILES for 5-methoxy-2-methyl-N-(4-piperidin-2-ylpyrimidin-2-yl)benzenesulfonamide is COc1ccc(C)c(S(=O)(=O)Nc2nccc(C3CCCCN3)n2)c1.
What is the InChIKey of 5-methoxy-2-methyl-N-(4-piperidin-2-ylpyrimidin-2-yl)benzenesulfonamide?
The InChIKey is PRDVHELOMHDYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-12-6-7-13(24-2)11-16(12)25(22,23)21-17-19-10-8-15(20-17)14-5-3-4-9-18-14/h6-8,10-11,14,18H,3-5,9H2,1-2H3,(H,19,20,21).
What are the key properties of 5-methoxy-2-methyl-N-(4-piperidin-2-ylpyrimidin-2-yl)benzenesulfonamide?
5-methoxy-2-methyl-N-(4-piperidin-2-ylpyrimidin-2-yl)benzenesulfonamide has a molecular weight of 362.46 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-N-(4-piperidin-2-ylpyrimidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 166305722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).