methyl 3-[[2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoyl]amino]-2-methylbenzoate

C23H20ClFN2O5S — CID 30804474

IUPACmethyl 3-[[2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoyl]amino]-2-methylbenzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N(C)c3ccc(F)cc3)ccc2Cl)c1C
InChIInChI=1S/C23H20ClFN2O5S/c1-14-18(23(29)32-3)5-4-6-21(14)26-22(28)19-13-17(11-12-20(19)24)33(30,31)27(2)16-9-7-15(25)8-10-16/h4-13H,1-3H3,(H,26,28)
InChIKeyCVWWABBMOISSGD-UHFFFAOYSA-N
MW490.94 g/mol
LogP4.65
Rot. Bonds6

About methyl 3-[[2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoyl]amino]-2-methylbenzoate

methyl 3-[[2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoyl]amino]-2-methylbenzoate (PubChem CID 30804474) has the molecular formula C23H20ClFN2O5S and a molecular weight of 490.94 g/mol. Its IUPAC name is methyl 3-[[2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoyl]amino]-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[[2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoyl]amino]-2-methylbenzoate
PubChem CID30804474
Molecular FormulaC23H20ClFN2O5S
Molecular Weight490.94 g/mol
Exact Mass490.08
IUPAC Namemethyl 3-[[2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoyl]amino]-2-methylbenzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N(C)c3ccc(F)cc3)ccc2Cl)c1C
InChIInChI=1S/C23H20ClFN2O5S/c1-14-18(23(29)32-3)5-4-6-21(14)26-22(28)19-13-17(11-12-20(19)24)33(30,31)27(2)16-9-7-15(25)8-10-16/h4-13H,1-3H3,(H,26,28)
InChIKeyCVWWABBMOISSGD-UHFFFAOYSA-N
XLogP4.65
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.94
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoyl]amino]-2-methylbenzoate with MolForge

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Related Compounds

[2-(Cyclopropylamino)-2-oxoethyl] 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoate
CID 2097465
2-[2-Chloro-5-(3-fluoro-phenylsulfamoyl)-benzoylamino]-benzoic acid
CID 1105141
3-(2-Chloro-5-p-tolylsulfamoyl-benzoylamino)-benzoic acid
CID 1105117
(2-Amino-2-oxoethyl) 2-chloro-5-[methyl(phenyl)sulfamoyl]benzoate
CID 2434884
Methyl 5-({[4-(acetylamino)phenyl]sulfonyl}amino)-2-chlorobenzoate
CID 2204953
[2-(ethylamino)-2-oxoethyl] 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 2435852
[2-(2-Methylpropanoylamino)-2-oxoethyl] 2-chloro-5-[ethyl(phenyl)sulfamoyl]benzoate
CID 2472808
2-[(2-Chloro-5-{[(4-fluorophenyl)amino]sulfonyl}benzoyl)amino]benzoic acid
CID 1105140
Methyl 3-({[4-(acetylamino)phenyl]sulfonyl}amino)-2-methylbenzoate
CID 1290039
Ethyl 4-{[[(3-{[(4-chloro-2-fluorophenyl)amino]carbonyl}-4-fluorophenyl)sulfonyl](4-fluorobenzyl)amino]methyl}benzoate
CID 16034031
2-Chloro-5-[[4-[(4-chlorophenyl)-methylsulfamoyl]benzoyl]amino]benzoic acid
CID 44420359
3-(4-Chloro-3-o-tolylcarbamoyl-benzenesulfonylamino)-benzoic acid
CID 1089402

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoyl]amino]-2-methylbenzoate?
The IUPAC name of methyl 3-[[2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoyl]amino]-2-methylbenzoate (CID 30804474) is methyl 3-[[2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoyl]amino]-2-methylbenzoate.
What is the SMILES notation for methyl 3-[[2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoyl]amino]-2-methylbenzoate?
The canonical SMILES for methyl 3-[[2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoyl]amino]-2-methylbenzoate is COC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N(C)c3ccc(F)cc3)ccc2Cl)c1C.
What is the InChIKey of methyl 3-[[2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoyl]amino]-2-methylbenzoate?
The InChIKey is CVWWABBMOISSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN2O5S/c1-14-18(23(29)32-3)5-4-6-21(14)26-22(28)19-13-17(11-12-20(19)24)33(30,31)27(2)16-9-7-15(25)8-10-16/h4-13H,1-3H3,(H,26,28).
What are the key properties of methyl 3-[[2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoyl]amino]-2-methylbenzoate?
methyl 3-[[2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoyl]amino]-2-methylbenzoate has a molecular weight of 490.94 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoyl]amino]-2-methylbenzoate is sourced from PubChem (CID 30804474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).