N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]naphthalene-1-sulfonamide

C21H24N4O2S — CID 122352966

IUPACN-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]naphthalene-1-sulfonamide
SMILESCc1cc(CNS(=O)(=O)c2cccc3ccccc23)nc(N2CCCCC2)n1
InChIInChI=1S/C21H24N4O2S/c1-16-14-18(24-21(23-16)25-12-5-2-6-13-25)15-22-28(26,27)20-11-7-9-17-8-3-4-10-19(17)20/h3-4,7-11,14,22H,2,5-6,12-13,15H2,1H3
InChIKeyLYBWQNUFOYKYRI-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.41
Rot. Bonds5

About N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]naphthalene-1-sulfonamide

N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]naphthalene-1-sulfonamide (PubChem CID 122352966) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]naphthalene-1-sulfonamide
PubChem CID122352966
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC NameN-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]naphthalene-1-sulfonamide
SMILESCc1cc(CNS(=O)(=O)c2cccc3ccccc23)nc(N2CCCCC2)n1
InChIInChI=1S/C21H24N4O2S/c1-16-14-18(24-21(23-16)25-12-5-2-6-13-25)15-22-28(26,27)20-11-7-9-17-8-3-4-10-19(17)20/h3-4,7-11,14,22H,2,5-6,12-13,15H2,1H3
InChIKeyLYBWQNUFOYKYRI-UHFFFAOYSA-N
XLogP3.41
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122352328
2-methoxy-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122353004
3-fluoro-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122352741
3-chloro-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122352331
2,4-dichloro-5-methyl-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122352947
4-ethyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122352319
N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122352999
2,4-diethoxy-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122352611
4-methyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-3,5-dinitrobenzenesulfonamide
CID 122352617
N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122352585
1-(4-fluorophenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide
CID 122352951
N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propan-2-amine
CID 55114190

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]naphthalene-1-sulfonamide (CID 122352966) is N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]naphthalene-1-sulfonamide is Cc1cc(CNS(=O)(=O)c2cccc3ccccc23)nc(N2CCCCC2)n1.
What is the InChIKey of N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]naphthalene-1-sulfonamide?
The InChIKey is LYBWQNUFOYKYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-16-14-18(24-21(23-16)25-12-5-2-6-13-25)15-22-28(26,27)20-11-7-9-17-8-3-4-10-19(17)20/h3-4,7-11,14,22H,2,5-6,12-13,15H2,1H3.
What are the key properties of N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]naphthalene-1-sulfonamide?
N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]naphthalene-1-sulfonamide has a molecular weight of 396.52 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 122352966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).