N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide

C17H24N4O2S — CID 121137197

IUPACN-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCc2nc(C)cc(N(C)C)n2)c(C)c1
InChIInChI=1S/C17H24N4O2S/c1-11-7-12(2)17(13(3)8-11)24(22,23)18-10-15-19-14(4)9-16(20-15)21(5)6/h7-9,18H,10H2,1-6H3
InChIKeyHMJGBGCBZRVZJE-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.25
Rot. Bonds5

About N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide

N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 121137197) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide
PubChem CID121137197
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC NameN-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCc2nc(C)cc(N(C)C)n2)c(C)c1
InChIInChI=1S/C17H24N4O2S/c1-11-7-12(2)17(13(3)8-11)24(22,23)18-10-15-19-14(4)9-16(20-15)21(5)6/h7-9,18H,10H2,1-6H3
InChIKeyHMJGBGCBZRVZJE-UHFFFAOYSA-N
XLogP2.25
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]naphthalene-1-sulfonamide
CID 122322384
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 122322382
N-ethyl-2,4,6-trimethylbenzenesulfonamide;molecular hydrogen
CID 142348370
N-[(4-methoxyphenyl)methyl]-2,4,6-trimethylbenzenesulfonamide
CID 668979
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2,4,6-trimethylbenzenesulfonamide
CID 110446031
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-4-methylthiophene-2-carboxamide
CID 122322257
2,4,6-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 154739438
2,4,6-trimethyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 91966700
2,4,6-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 22207763
2,4,6-trimethyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 110446025
N-[(2R)-3-(dimethylamino)-2-methylpropyl]-2,4,6-trimethylbenzenesulfonamide
CID 8778480
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-fluoro-2-methylbenzenesulfonamide
CID 122254131

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide (CID 121137197) is N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCc2nc(C)cc(N(C)C)n2)c(C)c1.
What is the InChIKey of N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is HMJGBGCBZRVZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-11-7-12(2)17(13(3)8-11)24(22,23)18-10-15-19-14(4)9-16(20-15)21(5)6/h7-9,18H,10H2,1-6H3.
What are the key properties of N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide?
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 348.47 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 121137197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).