N-(2-ethoxypyrimidin-5-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide

C15H19N3O4S — CID 122301894

IUPACN-(2-ethoxypyrimidin-5-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide
SMILESCCOc1ncc(NS(=O)(=O)c2cc(C)c(OC)cc2C)cn1
InChIInChI=1S/C15H19N3O4S/c1-5-22-15-16-8-12(9-17-15)18-23(19,20)14-7-10(2)13(21-4)6-11(14)3/h6-9,18H,5H2,1-4H3
InChIKeyPWPISPRWQHFXGD-UHFFFAOYSA-N
MW337.40 g/mol
LogP2.30
Rot. Bonds6

About N-(2-ethoxypyrimidin-5-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide

N-(2-ethoxypyrimidin-5-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide (PubChem CID 122301894) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is N-(2-ethoxypyrimidin-5-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethoxypyrimidin-5-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide
PubChem CID122301894
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC NameN-(2-ethoxypyrimidin-5-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide
SMILESCCOc1ncc(NS(=O)(=O)c2cc(C)c(OC)cc2C)cn1
InChIInChI=1S/C15H19N3O4S/c1-5-22-15-16-8-12(9-17-15)18-23(19,20)14-7-10(2)13(21-4)6-11(14)3/h6-9,18H,5H2,1-4H3
InChIKeyPWPISPRWQHFXGD-UHFFFAOYSA-N
XLogP2.30
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethoxypyrimidin-5-yl)-2,4-dimethoxybenzenesulfonamide
CID 122302182
N-(2-methoxypyrimidin-5-yl)-2,4-dimethylbenzenesulfonamide
CID 91968392
N-[6-(dipropylamino)-3-pyridinyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113015764
4-methoxy-N-[5-(2-methoxyethylamino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113025121
4-methoxy-2,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 122299666
4-ethoxy-2,5-dimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 110756905
N-(2-ethoxypyrimidin-5-yl)-2,5-difluorobenzenesulfonamide
CID 122302105
2,4-diethoxy-N-(2-methoxypyrimidin-5-yl)benzenesulfonamide
CID 122301745
N-[6-(azepan-1-yl)-3-pyridinyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113015961
N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113025801
N-(5-chloro-2-pyridinyl)-4-ethoxy-2,5-dimethylbenzenesulfonamide
CID 653931
N-(4-chloro-2,5-dimethoxyphenyl)-4-ethoxy-2,5-dimethylbenzenesulfonamide
CID 1256461

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxypyrimidin-5-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(2-ethoxypyrimidin-5-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide (CID 122301894) is N-(2-ethoxypyrimidin-5-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-ethoxypyrimidin-5-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2-ethoxypyrimidin-5-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide is CCOc1ncc(NS(=O)(=O)c2cc(C)c(OC)cc2C)cn1.
What is the InChIKey of N-(2-ethoxypyrimidin-5-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide?
The InChIKey is PWPISPRWQHFXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-5-22-15-16-8-12(9-17-15)18-23(19,20)14-7-10(2)13(21-4)6-11(14)3/h6-9,18H,5H2,1-4H3.
What are the key properties of N-(2-ethoxypyrimidin-5-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide?
N-(2-ethoxypyrimidin-5-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide has a molecular weight of 337.40 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxypyrimidin-5-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 122301894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).