N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]naphthalene-1-sulfonamide

C18H20N4O2S — CID 122322384

IUPACN-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]naphthalene-1-sulfonamide
SMILESCc1cc(N(C)C)nc(CNS(=O)(=O)c2cccc3ccccc23)n1
InChIInChI=1S/C18H20N4O2S/c1-13-11-18(22(2)3)21-17(20-13)12-19-25(23,24)16-10-6-8-14-7-4-5-9-15(14)16/h4-11,19H,12H2,1-3H3
InChIKeyZXZGNEPMTCAYRR-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.48
Rot. Bonds5

About N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]naphthalene-1-sulfonamide

N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]naphthalene-1-sulfonamide (PubChem CID 122322384) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]naphthalene-1-sulfonamide
PubChem CID122322384
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC NameN-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]naphthalene-1-sulfonamide
SMILESCc1cc(N(C)C)nc(CNS(=O)(=O)c2cccc3ccccc23)n1
InChIInChI=1S/C18H20N4O2S/c1-13-11-18(22(2)3)21-17(20-13)12-19-25(23,24)16-10-6-8-14-7-4-5-9-15(14)16/h4-11,19H,12H2,1-3H3
InChIKeyZXZGNEPMTCAYRR-UHFFFAOYSA-N
XLogP2.48
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]naphthalene-1-sulfonamide
CID 103740945
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide
CID 121137197
N-[[4-(dimethylamino)phenyl]methyl]naphthalene-1-sulfonamide
CID 3709466
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 122322382
N-benzylnaphthalene-1-sulfonamide
CID 3844256
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-methoxybenzenesulfonamide
CID 122322701
N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]naphthalene-1-sulfonamide
CID 122352966
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]quinoline-8-sulfonamide
CID 121137843
N-(methylaminomethyl)naphthalene-1-sulfonamide
CID 173069898
N-[(3,4-dimethoxyphenyl)methyl]naphthalene-1-sulfonamide
CID 3801586
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]naphthalene-1-sulfonamide
CID 122262719
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 122322312

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]naphthalene-1-sulfonamide (CID 122322384) is N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]naphthalene-1-sulfonamide is Cc1cc(N(C)C)nc(CNS(=O)(=O)c2cccc3ccccc23)n1.
What is the InChIKey of N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]naphthalene-1-sulfonamide?
The InChIKey is ZXZGNEPMTCAYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-13-11-18(22(2)3)21-17(20-13)12-19-25(23,24)16-10-6-8-14-7-4-5-9-15(14)16/h4-11,19H,12H2,1-3H3.
What are the key properties of N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]naphthalene-1-sulfonamide?
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]naphthalene-1-sulfonamide has a molecular weight of 356.45 g/mol, XLogP of 2.48, 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]naphthalene-1-sulfonamide is sourced from PubChem (CID 122322384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).