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

C22H26N4O2S — CID 126468259

IUPACN-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]naphthalene-2-sulfonamide
SMILESCc1cc(C)nc(N2CCC(CNS(=O)(=O)c3ccc4ccccc4c3)CC2)n1
InChIInChI=1S/C22H26N4O2S/c1-16-13-17(2)25-22(24-16)26-11-9-18(10-12-26)15-23-29(27,28)21-8-7-19-5-3-4-6-20(19)14-21/h3-8,13-14,18,23H,9-12,15H2,1-2H3
InChIKeyNJYPHJHEVRZTHQ-UHFFFAOYSA-N
MW410.54 g/mol
LogP3.44
Rot. Bonds5

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

N-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]naphthalene-2-sulfonamide (PubChem CID 126468259) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]naphthalene-2-sulfonamide
PubChem CID126468259
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC NameN-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]naphthalene-2-sulfonamide
SMILESCc1cc(C)nc(N2CCC(CNS(=O)(=O)c3ccc4ccccc4c3)CC2)n1
InChIInChI=1S/C22H26N4O2S/c1-16-13-17(2)25-22(24-16)26-11-9-18(10-12-26)15-23-29(27,28)21-8-7-19-5-3-4-6-20(19)14-21/h3-8,13-14,18,23H,9-12,15H2,1-2H3
InChIKeyNJYPHJHEVRZTHQ-UHFFFAOYSA-N
XLogP3.44
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(aminomethyl)cyclohexyl]methyl]naphthalene-2-sulfonamide
CID 20599120
ethyl 4-[(naphthalen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxylate
CID 155295839
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)naphthalene-2-sulfonamide
CID 122356520
4-methoxy-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzenesulfonamide
CID 110413945
N-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine
CID 62592824
3-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 86263506
N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]naphthalene-2-sulfonamide
CID 122299656
N-[(1-prop-2-ynylpiperidin-3-yl)methyl]naphthalene-2-sulfonamide
CID 134146126
3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887449
N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 121108371
4-methyl-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-6-piperidin-1-ylpyrimidine
CID 53093497
4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 121108130

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]naphthalene-2-sulfonamide (CID 126468259) is N-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]naphthalene-2-sulfonamide is Cc1cc(C)nc(N2CCC(CNS(=O)(=O)c3ccc4ccccc4c3)CC2)n1.
What is the InChIKey of N-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]naphthalene-2-sulfonamide?
The InChIKey is NJYPHJHEVRZTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-16-13-17(2)25-22(24-16)26-11-9-18(10-12-26)15-23-29(27,28)21-8-7-19-5-3-4-6-20(19)14-21/h3-8,13-14,18,23H,9-12,15H2,1-2H3.
What are the key properties of N-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]naphthalene-2-sulfonamide?
N-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]naphthalene-2-sulfonamide has a molecular weight of 410.54 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 126468259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).