4-N-(4-chlorophenyl)-3-N-[3-fluoro-4-(2-sulfamoylphenyl)phenyl]morpholine-3,4-dicarboxamide

C24H22ClFN4O5S — CID 10218167

IUPAC4-N-(4-chlorophenyl)-3-N-[3-fluoro-4-(2-sulfamoylphenyl)phenyl]morpholine-3,4-dicarboxamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2COCCN2C(=O)Nc2ccc(Cl)cc2)cc1F
InChIInChI=1S/C24H22ClFN4O5S/c25-15-5-7-16(8-6-15)29-24(32)30-11-12-35-14-21(30)23(31)28-17-9-10-18(20(26)13-17)19-3-1-2-4-22(19)36(27,33)34/h1-10,13,21H,11-12,14H2,(H,28,31)(H,29,32)(H2,27,33,34)
InChIKeyNDBMPMFPQREYLZ-UHFFFAOYSA-N
MW532.98 g/mol
LogP3.66
Rot. Bonds5

About 4-N-(4-chlorophenyl)-3-N-[3-fluoro-4-(2-sulfamoylphenyl)phenyl]morpholine-3,4-dicarboxamide

4-N-(4-chlorophenyl)-3-N-[3-fluoro-4-(2-sulfamoylphenyl)phenyl]morpholine-3,4-dicarboxamide (PubChem CID 10218167) has the molecular formula C24H22ClFN4O5S and a molecular weight of 532.98 g/mol. Its IUPAC name is 4-N-(4-chlorophenyl)-3-N-[3-fluoro-4-(2-sulfamoylphenyl)phenyl]morpholine-3,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-chlorophenyl)-3-N-[3-fluoro-4-(2-sulfamoylphenyl)phenyl]morpholine-3,4-dicarboxamide
PubChem CID10218167
Molecular FormulaC24H22ClFN4O5S
Molecular Weight532.98 g/mol
Exact Mass532.10
IUPAC Name4-N-(4-chlorophenyl)-3-N-[3-fluoro-4-(2-sulfamoylphenyl)phenyl]morpholine-3,4-dicarboxamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2COCCN2C(=O)Nc2ccc(Cl)cc2)cc1F
InChIInChI=1S/C24H22ClFN4O5S/c25-15-5-7-16(8-6-15)29-24(32)30-11-12-35-14-21(30)23(31)28-17-9-10-18(20(26)13-17)19-3-1-2-4-22(19)36(27,33)34/h1-10,13,21H,11-12,14H2,(H,28,31)(H,29,32)(H2,27,33,34)
InChIKeyNDBMPMFPQREYLZ-UHFFFAOYSA-N
XLogP3.66
TPSA130.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.98
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-N-(4-chlorophenyl)-3-N-[3-fluoro-4-(2-sulfamoylphenyl)phenyl]morpholine-3,4-dicarboxamide with MolForge

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Related Compounds

1-N-(4-chlorophenyl)-2-N-[3-fluoro-4-(2-methylsulfonylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 68808032
1-N-(3,4-difluorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 21025983
1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide
CID 21026059
2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 21025982
(3S)-4-acetyl-N-(3-fluoro-4-methoxyphenyl)morpholine-3-carboxamide
CID 97244740
(2R,4S)-1-N-(4-chlorophenyl)-4-fluoro-2-N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 16749090
tert-butyl (3S)-3-[(3-fluoro-4-methoxyphenyl)carbamoyl]morpholine-4-carboxylate
CID 99811573
2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 68806042
methyl 4-[(3-fluorophenyl)carbamoyl]morpholine-3-carboxylate
CID 104774908
1-N-(5-chloro-2-pyridinyl)-2-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide
CID 21026122
(2R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-4-oxopyrrolidine-1,2-dicarboxamide
CID 16749189
(4R)-3-[(4-chlorophenyl)carbamoyl]-1,3-oxazolidine-4-carboxylic acid
CID 58691300

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chlorophenyl)-3-N-[3-fluoro-4-(2-sulfamoylphenyl)phenyl]morpholine-3,4-dicarboxamide?
The IUPAC name of 4-N-(4-chlorophenyl)-3-N-[3-fluoro-4-(2-sulfamoylphenyl)phenyl]morpholine-3,4-dicarboxamide (CID 10218167) is 4-N-(4-chlorophenyl)-3-N-[3-fluoro-4-(2-sulfamoylphenyl)phenyl]morpholine-3,4-dicarboxamide.
What is the SMILES notation for 4-N-(4-chlorophenyl)-3-N-[3-fluoro-4-(2-sulfamoylphenyl)phenyl]morpholine-3,4-dicarboxamide?
The canonical SMILES for 4-N-(4-chlorophenyl)-3-N-[3-fluoro-4-(2-sulfamoylphenyl)phenyl]morpholine-3,4-dicarboxamide is NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2COCCN2C(=O)Nc2ccc(Cl)cc2)cc1F.
What is the InChIKey of 4-N-(4-chlorophenyl)-3-N-[3-fluoro-4-(2-sulfamoylphenyl)phenyl]morpholine-3,4-dicarboxamide?
The InChIKey is NDBMPMFPQREYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN4O5S/c25-15-5-7-16(8-6-15)29-24(32)30-11-12-35-14-21(30)23(31)28-17-9-10-18(20(26)13-17)19-3-1-2-4-22(19)36(27,33)34/h1-10,13,21H,11-12,14H2,(H,28,31)(H,29,32)(H2,27,33,34).
What are the key properties of 4-N-(4-chlorophenyl)-3-N-[3-fluoro-4-(2-sulfamoylphenyl)phenyl]morpholine-3,4-dicarboxamide?
4-N-(4-chlorophenyl)-3-N-[3-fluoro-4-(2-sulfamoylphenyl)phenyl]morpholine-3,4-dicarboxamide has a molecular weight of 532.98 g/mol, XLogP of 3.66, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chlorophenyl)-3-N-[3-fluoro-4-(2-sulfamoylphenyl)phenyl]morpholine-3,4-dicarboxamide is sourced from PubChem (CID 10218167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).