2,4-diethoxy-N-(2-methoxypyrimidin-5-yl)benzenesulfonamide

C15H19N3O5S — CID 122301745

IUPAC2,4-diethoxy-N-(2-methoxypyrimidin-5-yl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cnc(OC)nc2)c(OCC)c1
InChIInChI=1S/C15H19N3O5S/c1-4-22-12-6-7-14(13(8-12)23-5-2)24(19,20)18-11-9-16-15(21-3)17-10-11/h6-10,18H,4-5H2,1-3H3
InChIKeyOLSCDGIAFXGIRZ-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.08
Rot. Bonds8

About 2,4-diethoxy-N-(2-methoxypyrimidin-5-yl)benzenesulfonamide

2,4-diethoxy-N-(2-methoxypyrimidin-5-yl)benzenesulfonamide (PubChem CID 122301745) has the molecular formula C15H19N3O5S and a molecular weight of 353.40 g/mol. Its IUPAC name is 2,4-diethoxy-N-(2-methoxypyrimidin-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-diethoxy-N-(2-methoxypyrimidin-5-yl)benzenesulfonamide
PubChem CID122301745
Molecular FormulaC15H19N3O5S
Molecular Weight353.40 g/mol
Exact Mass353.10
IUPAC Name2,4-diethoxy-N-(2-methoxypyrimidin-5-yl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cnc(OC)nc2)c(OCC)c1
InChIInChI=1S/C15H19N3O5S/c1-4-22-12-6-7-14(13(8-12)23-5-2)24(19,20)18-11-9-16-15(21-3)17-10-11/h6-10,18H,4-5H2,1-3H3
InChIKeyOLSCDGIAFXGIRZ-UHFFFAOYSA-N
XLogP2.08
TPSA99.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-(2-ethoxypyrimidin-5-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 122301894
2,4-dimethoxy-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide
CID 113023515
2,4-diethoxy-N-octylbenzenesulfonamide
CID 67803858
N-(6-bromo-3-pyridinyl)-2,4-dimethoxybenzenesulfonamide
CID 110605160
N-(2-ethoxypyrimidin-5-yl)-2,5-difluorobenzenesulfonamide
CID 122302105
2-ethoxy-4-methyl-N-pyridin-3-ylbenzenesulfonamide
CID 15943881
2,4-diethoxy-N-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
CID 122284832
2,4-diethoxy-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122306490
2,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 22774026
2,4-diethoxy-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide
CID 90516437

Frequently Asked Questions

What is the IUPAC name of 2,4-diethoxy-N-(2-methoxypyrimidin-5-yl)benzenesulfonamide?
The IUPAC name of 2,4-diethoxy-N-(2-methoxypyrimidin-5-yl)benzenesulfonamide (CID 122301745) is 2,4-diethoxy-N-(2-methoxypyrimidin-5-yl)benzenesulfonamide.
What is the SMILES notation for 2,4-diethoxy-N-(2-methoxypyrimidin-5-yl)benzenesulfonamide?
The canonical SMILES for 2,4-diethoxy-N-(2-methoxypyrimidin-5-yl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2cnc(OC)nc2)c(OCC)c1.
What is the InChIKey of 2,4-diethoxy-N-(2-methoxypyrimidin-5-yl)benzenesulfonamide?
The InChIKey is OLSCDGIAFXGIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5S/c1-4-22-12-6-7-14(13(8-12)23-5-2)24(19,20)18-11-9-16-15(21-3)17-10-11/h6-10,18H,4-5H2,1-3H3.
What are the key properties of 2,4-diethoxy-N-(2-methoxypyrimidin-5-yl)benzenesulfonamide?
2,4-diethoxy-N-(2-methoxypyrimidin-5-yl)benzenesulfonamide has a molecular weight of 353.40 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethoxy-N-(2-methoxypyrimidin-5-yl)benzenesulfonamide is sourced from PubChem (CID 122301745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).