N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,4-difluorobenzenesulfonamide

C20H24F2N2O5S — CID 25040469

IUPACN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,4-difluorobenzenesulfonamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C20H24F2N2O5S/c1-3-28-18-13-17(24-7-9-27-10-8-24)19(29-4-2)12-16(18)23-30(25,26)20-6-5-14(21)11-15(20)22/h5-6,11-13,23H,3-4,7-10H2,1-2H3
InChIKeyIZISYQHEPMUJDW-UHFFFAOYSA-N
MW442.48 g/mol
LogP3.40
Rot. Bonds8

About N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,4-difluorobenzenesulfonamide

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,4-difluorobenzenesulfonamide (PubChem CID 25040469) has the molecular formula C20H24F2N2O5S and a molecular weight of 442.48 g/mol. Its IUPAC name is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,4-difluorobenzenesulfonamide
PubChem CID25040469
Molecular FormulaC20H24F2N2O5S
Molecular Weight442.48 g/mol
Exact Mass442.14
IUPAC NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,4-difluorobenzenesulfonamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C20H24F2N2O5S/c1-3-28-18-13-17(24-7-9-27-10-8-24)19(29-4-2)12-16(18)23-30(25,26)20-6-5-14(21)11-15(20)22/h5-6,11-13,23H,3-4,7-10H2,1-2H3
InChIKeyIZISYQHEPMUJDW-UHFFFAOYSA-N
XLogP3.40
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,4-difluorobenzenesulfonamide (CID 25040469) is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,4-difluorobenzenesulfonamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,4-difluorobenzenesulfonamide?
The InChIKey is IZISYQHEPMUJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O5S/c1-3-28-18-13-17(24-7-9-27-10-8-24)19(29-4-2)12-16(18)23-30(25,26)20-6-5-14(21)11-15(20)22/h5-6,11-13,23H,3-4,7-10H2,1-2H3.
What are the key properties of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,4-difluorobenzenesulfonamide?
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,4-difluorobenzenesulfonamide has a molecular weight of 442.48 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 25040469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).