4-ethoxy-N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide

C20H20FN3O4S — CID 90516479

IUPAC4-ethoxy-N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCn2cnc(-c3ccc(F)cc3)cc2=O)cc1
InChIInChI=1S/C20H20FN3O4S/c1-2-28-17-7-9-18(10-8-17)29(26,27)23-11-12-24-14-22-19(13-20(24)25)15-3-5-16(21)6-4-15/h3-10,13-14,23H,2,11-12H2,1H3
InChIKeyMDXWPAQCJNLLOZ-UHFFFAOYSA-N
MW417.46 g/mol
LogP2.43
Rot. Bonds8

About 4-ethoxy-N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide

4-ethoxy-N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide (PubChem CID 90516479) has the molecular formula C20H20FN3O4S and a molecular weight of 417.46 g/mol. Its IUPAC name is 4-ethoxy-N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide
PubChem CID90516479
Molecular FormulaC20H20FN3O4S
Molecular Weight417.46 g/mol
Exact Mass417.12
IUPAC Name4-ethoxy-N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCn2cnc(-c3ccc(F)cc3)cc2=O)cc1
InChIInChI=1S/C20H20FN3O4S/c1-2-28-17-7-9-18(10-8-17)29(26,27)23-11-12-24-14-22-19(13-20(24)25)15-3-5-16(21)6-4-15/h3-10,13-14,23H,2,11-12H2,1H3
InChIKeyMDXWPAQCJNLLOZ-UHFFFAOYSA-N
XLogP2.43
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-ethoxy-N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide
CID 90516462
N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-4-methylbenzenesulfonamide
CID 90516373
3-fluoro-N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-4-methoxybenzenesulfonamide
CID 90516475
4-bromo-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide
CID 90516400
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]pyridine-3-sulfonamide
CID 90516504
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 90516486
2,4-diethoxy-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide
CID 90516437
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-3,5-difluorobenzenesulfonamide
CID 121034045
2,3-dichloro-N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide
CID 90516519
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-methylbenzenesulfonamide
CID 41241532
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]cyclopropanesulfonamide
CID 56764800
N-[2-(4-ethoxyphenoxy)ethyl]-4-fluorobenzenesulfonamide
CID 40753911

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide (CID 90516479) is 4-ethoxy-N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCCn2cnc(-c3ccc(F)cc3)cc2=O)cc1.
What is the InChIKey of 4-ethoxy-N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide?
The InChIKey is MDXWPAQCJNLLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O4S/c1-2-28-17-7-9-18(10-8-17)29(26,27)23-11-12-24-14-22-19(13-20(24)25)15-3-5-16(21)6-4-15/h3-10,13-14,23H,2,11-12H2,1H3.
What are the key properties of 4-ethoxy-N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide?
4-ethoxy-N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide has a molecular weight of 417.46 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 90516479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).