[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate

C22H18ClFN2O5S — CID 2584207

IUPAC[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate
SMILESO=C(COC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)NCc1ccc(Cl)cc1
InChIInChI=1S/C22H18ClFN2O5S/c23-17-6-4-15(5-7-17)13-25-21(27)14-31-22(28)16-2-1-3-20(12-16)32(29,30)26-19-10-8-18(24)9-11-19/h1-12,26H,13-14H2,(H,25,27)
InChIKeyFOJFRTJUBXWRTR-UHFFFAOYSA-N
MW476.91 g/mol
LogP3.75
Rot. Bonds8

About [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate

[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate (PubChem CID 2584207) has the molecular formula C22H18ClFN2O5S and a molecular weight of 476.91 g/mol. Its IUPAC name is [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate
PubChem CID2584207
Molecular FormulaC22H18ClFN2O5S
Molecular Weight476.91 g/mol
Exact Mass476.06
IUPAC Name[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate
SMILESO=C(COC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)NCc1ccc(Cl)cc1
InChIInChI=1S/C22H18ClFN2O5S/c23-17-6-4-15(5-7-17)13-25-21(27)14-31-22(28)16-2-1-3-20(12-16)32(29,30)26-19-10-8-18(24)9-11-19/h1-12,26H,13-14H2,(H,25,27)
InChIKeyFOJFRTJUBXWRTR-UHFFFAOYSA-N
XLogP3.75
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.91
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate 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

[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate
CID 29183951
[2-oxo-2-(3-phenylpropylamino)ethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate
CID 2623650
[2-oxo-2-(pentan-3-ylamino)ethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate
CID 2584155
[2-(3-fluoroanilino)-2-oxoethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate
CID 2584096
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-chlorobenzoate
CID 2629130
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate
CID 2506002
[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate
CID 42967832
(4-carbamoylphenyl)methyl 3-[(4-chlorophenyl)sulfamoyl]benzoate
CID 43039119
[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate
CID 55398552
(2-oxo-2-piperidin-1-ylethyl) 3-[(4-fluorophenyl)sulfamoyl]benzoate
CID 2623659
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-acetamidobenzoate
CID 2582191
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate
CID 2604431

Frequently Asked Questions

What is the IUPAC name of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate?
The IUPAC name of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate (CID 2584207) is [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate.
What is the SMILES notation for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate?
The canonical SMILES for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate is O=C(COC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)NCc1ccc(Cl)cc1.
What is the InChIKey of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate?
The InChIKey is FOJFRTJUBXWRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN2O5S/c23-17-6-4-15(5-7-17)13-25-21(27)14-31-22(28)16-2-1-3-20(12-16)32(29,30)26-19-10-8-18(24)9-11-19/h1-12,26H,13-14H2,(H,25,27).
What are the key properties of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate?
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate has a molecular weight of 476.91 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate is sourced from PubChem (CID 2584207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).