N-(2,4-dimethoxypyrimidin-5-yl)-5-(dimethylamino)naphthalene-1-sulfonamide

C18H20N4O4S — CID 18704796

IUPACN-(2,4-dimethoxypyrimidin-5-yl)-5-(dimethylamino)naphthalene-1-sulfonamide
SMILESCOc1ncc(NS(=O)(=O)c2cccc3c(N(C)C)cccc23)c(OC)n1
InChIInChI=1S/C18H20N4O4S/c1-22(2)15-9-5-8-13-12(15)7-6-10-16(13)27(23,24)21-14-11-19-18(26-4)20-17(14)25-3/h5-11,21H,1-4H3
InChIKeyLOQZHTSWJYEYAM-UHFFFAOYSA-N
MW388.45 g/mol
LogP2.51
Rot. Bonds6

About N-(2,4-dimethoxypyrimidin-5-yl)-5-(dimethylamino)naphthalene-1-sulfonamide

N-(2,4-dimethoxypyrimidin-5-yl)-5-(dimethylamino)naphthalene-1-sulfonamide (PubChem CID 18704796) has the molecular formula C18H20N4O4S and a molecular weight of 388.45 g/mol. Its IUPAC name is N-(2,4-dimethoxypyrimidin-5-yl)-5-(dimethylamino)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethoxypyrimidin-5-yl)-5-(dimethylamino)naphthalene-1-sulfonamide
PubChem CID18704796
Molecular FormulaC18H20N4O4S
Molecular Weight388.45 g/mol
Exact Mass388.12
IUPAC NameN-(2,4-dimethoxypyrimidin-5-yl)-5-(dimethylamino)naphthalene-1-sulfonamide
SMILESCOc1ncc(NS(=O)(=O)c2cccc3c(N(C)C)cccc23)c(OC)n1
InChIInChI=1S/C18H20N4O4S/c1-22(2)15-9-5-8-13-12(15)7-6-10-16(13)27(23,24)21-14-11-19-18(26-4)20-17(14)25-3/h5-11,21H,1-4H3
InChIKeyLOQZHTSWJYEYAM-UHFFFAOYSA-N
XLogP2.51
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxypyrimidin-5-yl)-5-(dimethylamino)naphthalene-1-sulfonamide?
The IUPAC name of N-(2,4-dimethoxypyrimidin-5-yl)-5-(dimethylamino)naphthalene-1-sulfonamide (CID 18704796) is N-(2,4-dimethoxypyrimidin-5-yl)-5-(dimethylamino)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(2,4-dimethoxypyrimidin-5-yl)-5-(dimethylamino)naphthalene-1-sulfonamide?
The canonical SMILES for N-(2,4-dimethoxypyrimidin-5-yl)-5-(dimethylamino)naphthalene-1-sulfonamide is COc1ncc(NS(=O)(=O)c2cccc3c(N(C)C)cccc23)c(OC)n1.
What is the InChIKey of N-(2,4-dimethoxypyrimidin-5-yl)-5-(dimethylamino)naphthalene-1-sulfonamide?
The InChIKey is LOQZHTSWJYEYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4S/c1-22(2)15-9-5-8-13-12(15)7-6-10-16(13)27(23,24)21-14-11-19-18(26-4)20-17(14)25-3/h5-11,21H,1-4H3.
What are the key properties of N-(2,4-dimethoxypyrimidin-5-yl)-5-(dimethylamino)naphthalene-1-sulfonamide?
N-(2,4-dimethoxypyrimidin-5-yl)-5-(dimethylamino)naphthalene-1-sulfonamide has a molecular weight of 388.45 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxypyrimidin-5-yl)-5-(dimethylamino)naphthalene-1-sulfonamide is sourced from PubChem (CID 18704796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).