2,3,4,5-tetrafluoro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide

C24H21F4N3O5S — CID 5216904

IUPAC2,3,4,5-tetrafluoro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cc(F)c(F)c(F)c2F)ccc1N1CCOCC1
InChIInChI=1S/C24H21F4N3O5S/c1-35-19-5-3-2-4-17(19)30-37(33,34)20-12-14(6-7-18(20)31-8-10-36-11-9-31)29-24(32)15-13-16(25)22(27)23(28)21(15)26/h2-7,12-13,30H,8-11H2,1H3,(H,29,32)
InChIKeyKQZOJGVATWUJAM-UHFFFAOYSA-N
MW539.51 g/mol
LogP4.14
Rot. Bonds7

About 2,3,4,5-tetrafluoro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide

2,3,4,5-tetrafluoro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide (PubChem CID 5216904) has the molecular formula C24H21F4N3O5S and a molecular weight of 539.51 g/mol. Its IUPAC name is 2,3,4,5-tetrafluoro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide.

Molecular Properties

Compound Name2,3,4,5-tetrafluoro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide
PubChem CID5216904
Molecular FormulaC24H21F4N3O5S
Molecular Weight539.51 g/mol
Exact Mass539.11
IUPAC Name2,3,4,5-tetrafluoro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cc(F)c(F)c(F)c2F)ccc1N1CCOCC1
InChIInChI=1S/C24H21F4N3O5S/c1-35-19-5-3-2-4-17(19)30-37(33,34)20-12-14(6-7-18(20)31-8-10-36-11-9-31)29-24(32)15-13-16(25)22(27)23(28)21(15)26/h2-7,12-13,30H,8-11H2,1H3,(H,29,32)
InChIKeyKQZOJGVATWUJAM-UHFFFAOYSA-N
XLogP4.14
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.51
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2,3,4,5-tetrafluoro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrafluoro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide?
The IUPAC name of 2,3,4,5-tetrafluoro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide (CID 5216904) is 2,3,4,5-tetrafluoro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide.
What is the SMILES notation for 2,3,4,5-tetrafluoro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide?
The canonical SMILES for 2,3,4,5-tetrafluoro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide is COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cc(F)c(F)c(F)c2F)ccc1N1CCOCC1.
What is the InChIKey of 2,3,4,5-tetrafluoro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide?
The InChIKey is KQZOJGVATWUJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F4N3O5S/c1-35-19-5-3-2-4-17(19)30-37(33,34)20-12-14(6-7-18(20)31-8-10-36-11-9-31)29-24(32)15-13-16(25)22(27)23(28)21(15)26/h2-7,12-13,30H,8-11H2,1H3,(H,29,32).
What are the key properties of 2,3,4,5-tetrafluoro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide?
2,3,4,5-tetrafluoro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide has a molecular weight of 539.51 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrafluoro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide is sourced from PubChem (CID 5216904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).