N-(2-ethoxypyrimidin-5-yl)-2,4-dimethoxybenzenesulfonamide

C14H17N3O5S — CID 122302182

IUPACN-(2-ethoxypyrimidin-5-yl)-2,4-dimethoxybenzenesulfonamide
SMILESCCOc1ncc(NS(=O)(=O)c2ccc(OC)cc2OC)cn1
InChIInChI=1S/C14H17N3O5S/c1-4-22-14-15-8-10(9-16-14)17-23(18,19)13-6-5-11(20-2)7-12(13)21-3/h5-9,17H,4H2,1-3H3
InChIKeyYIDHPBRNMFLZLQ-UHFFFAOYSA-N
MW339.37 g/mol
LogP1.69
Rot. Bonds7

About N-(2-ethoxypyrimidin-5-yl)-2,4-dimethoxybenzenesulfonamide

N-(2-ethoxypyrimidin-5-yl)-2,4-dimethoxybenzenesulfonamide (PubChem CID 122302182) has the molecular formula C14H17N3O5S and a molecular weight of 339.37 g/mol. Its IUPAC name is N-(2-ethoxypyrimidin-5-yl)-2,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethoxypyrimidin-5-yl)-2,4-dimethoxybenzenesulfonamide
PubChem CID122302182
Molecular FormulaC14H17N3O5S
Molecular Weight339.37 g/mol
Exact Mass339.09
IUPAC NameN-(2-ethoxypyrimidin-5-yl)-2,4-dimethoxybenzenesulfonamide
SMILESCCOc1ncc(NS(=O)(=O)c2ccc(OC)cc2OC)cn1
InChIInChI=1S/C14H17N3O5S/c1-4-22-14-15-8-10(9-16-14)17-23(18,19)13-6-5-11(20-2)7-12(13)21-3/h5-9,17H,4H2,1-3H3
InChIKeyYIDHPBRNMFLZLQ-UHFFFAOYSA-N
XLogP1.69
TPSA99.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-diethoxy-N-(2-methoxypyrimidin-5-yl)benzenesulfonamide
CID 122301745
2,4-dimethoxy-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide
CID 113023515
N-(6-bromo-3-pyridinyl)-2,4-dimethoxybenzenesulfonamide
CID 110605160
N-(2-ethoxypyrimidin-5-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 122301894
2,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 22774026
2,4-dimethoxy-N-[4-(propylamino)phenyl]benzenesulfonamide
CID 112979777
N-(3,4-dimethylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 19683549
N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-2,4-dimethoxybenzenesulfonamide
CID 113010801
N-(4-aminophenyl)-2,4-dimethoxybenzenesulfonamide
CID 43602608
2,4-dimethoxy-N-(6-piperidin-1-yl-3-pyridinyl)benzenesulfonamide
CID 113010011
N-(2-ethoxypyrimidin-5-yl)-2,5-difluorobenzenesulfonamide
CID 122302105
N-(2-methoxypyrimidin-5-yl)-2,4-dimethylbenzenesulfonamide
CID 91968392

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxypyrimidin-5-yl)-2,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-(2-ethoxypyrimidin-5-yl)-2,4-dimethoxybenzenesulfonamide (CID 122302182) is N-(2-ethoxypyrimidin-5-yl)-2,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(2-ethoxypyrimidin-5-yl)-2,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(2-ethoxypyrimidin-5-yl)-2,4-dimethoxybenzenesulfonamide is CCOc1ncc(NS(=O)(=O)c2ccc(OC)cc2OC)cn1.
What is the InChIKey of N-(2-ethoxypyrimidin-5-yl)-2,4-dimethoxybenzenesulfonamide?
The InChIKey is YIDHPBRNMFLZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O5S/c1-4-22-14-15-8-10(9-16-14)17-23(18,19)13-6-5-11(20-2)7-12(13)21-3/h5-9,17H,4H2,1-3H3.
What are the key properties of N-(2-ethoxypyrimidin-5-yl)-2,4-dimethoxybenzenesulfonamide?
N-(2-ethoxypyrimidin-5-yl)-2,4-dimethoxybenzenesulfonamide has a molecular weight of 339.37 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxypyrimidin-5-yl)-2,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 122302182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).