N-[3-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-2,4-difluorobenzenesulfonamide

C22H22F2N4O4S — CID 53330380

IUPACN-[3-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-2,4-difluorobenzenesulfonamide
SMILESCCOc1cnc(-c2cccc(NS(=O)(=O)c3ccc(F)cc3F)c2)nc1N1CCOCC1
InChIInChI=1S/C22H22F2N4O4S/c1-2-32-19-14-25-21(26-22(19)28-8-10-31-11-9-28)15-4-3-5-17(12-15)27-33(29,30)20-7-6-16(23)13-18(20)24/h3-7,12-14,27H,2,8-11H2,1H3
InChIKeyZECUSMNZEAIIHY-UHFFFAOYSA-N
MW476.51 g/mol
LogP3.46
Rot. Bonds7

About N-[3-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-2,4-difluorobenzenesulfonamide

N-[3-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-2,4-difluorobenzenesulfonamide (PubChem CID 53330380) has the molecular formula C22H22F2N4O4S and a molecular weight of 476.51 g/mol. Its IUPAC name is N-[3-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-2,4-difluorobenzenesulfonamide
PubChem CID53330380
Molecular FormulaC22H22F2N4O4S
Molecular Weight476.51 g/mol
Exact Mass476.13
IUPAC NameN-[3-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-2,4-difluorobenzenesulfonamide
SMILESCCOc1cnc(-c2cccc(NS(=O)(=O)c3ccc(F)cc3F)c2)nc1N1CCOCC1
InChIInChI=1S/C22H22F2N4O4S/c1-2-32-19-14-25-21(26-22(19)28-8-10-31-11-9-28)15-4-3-5-17(12-15)27-33(29,30)20-7-6-16(23)13-18(20)24/h3-7,12-14,27H,2,8-11H2,1H3
InChIKeyZECUSMNZEAIIHY-UHFFFAOYSA-N
XLogP3.46
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.51
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-2,4-difluorobenzenesulfonamide with MolForge

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Related Compounds

N-[3-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]methanesulfonamide
CID 53329856
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,4-difluorobenzenesulfonamide
CID 25040469
2,4-difluoro-N-[2-methyl-5-(4-methyl-6-morpholin-4-ylpyrimidin-5-yl)-3-pyridinyl]benzenesulfonamide
CID 71229040
4-(5-methoxy-2-phenylpyrimidin-4-yl)morpholine
CID 3329093
N-[5-chloro-6-(4-phenylpiperazin-1-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 86764546
3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-[(3S)-oxolan-3-yl]benzamide
CID 125447195
N-(3-acetylphenyl)-2,4-difluorobenzenesulfonamide
CID 3836234
4-fluoro-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 24656453
N-[3-(4-amino-2-morpholin-4-ylpyrimidin-5-yl)phenyl]methanesulfonamide
CID 66630757
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-ethoxybenzenesulfonamide
CID 41006161
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2,4-difluorobenzenesulfonamide
CID 2488296
N-(5-bromo-2-ethoxy-3-pyridinyl)-2,4-difluorobenzenesulfonamide
CID 59860226

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[3-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-2,4-difluorobenzenesulfonamide (CID 53330380) is N-[3-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[3-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[3-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-2,4-difluorobenzenesulfonamide is CCOc1cnc(-c2cccc(NS(=O)(=O)c3ccc(F)cc3F)c2)nc1N1CCOCC1.
What is the InChIKey of N-[3-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-2,4-difluorobenzenesulfonamide?
The InChIKey is ZECUSMNZEAIIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O4S/c1-2-32-19-14-25-21(26-22(19)28-8-10-31-11-9-28)15-4-3-5-17(12-15)27-33(29,30)20-7-6-16(23)13-18(20)24/h3-7,12-14,27H,2,8-11H2,1H3.
What are the key properties of N-[3-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-2,4-difluorobenzenesulfonamide?
N-[3-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 476.51 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 53330380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).