N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C17H22N4O3S — CID 122319541

IUPACN-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCOc1ncc(NS(=O)(=O)c2ccc3c(c2)CCCC3)c(N(C)C)n1
InChIInChI=1S/C17H22N4O3S/c1-21(2)16-15(11-18-17(19-16)24-3)20-25(22,23)14-9-8-12-6-4-5-7-13(12)10-14/h8-11,20H,4-7H2,1-3H3
InChIKeyHAISPCRYWNMRDL-UHFFFAOYSA-N
MW362.46 g/mol
LogP2.23
Rot. Bonds5

About N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 122319541) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID122319541
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC NameN-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCOc1ncc(NS(=O)(=O)c2ccc3c(c2)CCCC3)c(N(C)C)n1
InChIInChI=1S/C17H22N4O3S/c1-21(2)16-15(11-18-17(19-16)24-3)20-25(22,23)14-9-8-12-6-4-5-7-13(12)10-14/h8-11,20H,4-7H2,1-3H3
InChIKeyHAISPCRYWNMRDL-UHFFFAOYSA-N
XLogP2.23
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3,4-dimethoxybenzenesulfonamide
CID 122319346
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-4-fluorobenzenesulfonamide
CID 122319347
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-1-methylimidazole-4-sulfonamide
CID 122319559
N-(5-chloro-2,4-dimethoxyphenyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 7510365
N-(2,4-dimethoxypyrimidin-5-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 122304201
N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 122320596
N-[2-[methyl(methylsulfonyl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113093539
3,4-dichloro-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]benzenesulfonamide
CID 91969195
N-(5-methyl-1,3-thiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 35523329
N-(2-chloro-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 26969819
2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-methoxy-N-methylbenzamide
CID 47092045
5,6,7,8-tetrahydronaphthalene-2-sulfonyl fluoride
CID 82284501

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 122319541) is N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is COc1ncc(NS(=O)(=O)c2ccc3c(c2)CCCC3)c(N(C)C)n1.
What is the InChIKey of N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is HAISPCRYWNMRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-21(2)16-15(11-18-17(19-16)24-3)20-25(22,23)14-9-8-12-6-4-5-7-13(12)10-14/h8-11,20H,4-7H2,1-3H3.
What are the key properties of N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 362.46 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 122319541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).