methyl 4-[[4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzoyl]amino]benzoate

C21H16ClFN2O5S — CID 43000828

IUPACmethyl 4-[[4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzoyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)cc1
InChIInChI=1S/C21H16ClFN2O5S/c1-30-21(27)14-4-6-15(7-5-14)24-20(26)13-2-8-16(9-3-13)25-31(28,29)17-10-11-19(23)18(22)12-17/h2-12,25H,1H3,(H,24,26)
InChIKeyJGBNRZPFBBRFEF-UHFFFAOYSA-N
MW462.89 g/mol
LogP4.32
Rot. Bonds6

About methyl 4-[[4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzoyl]amino]benzoate

methyl 4-[[4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzoyl]amino]benzoate (PubChem CID 43000828) has the molecular formula C21H16ClFN2O5S and a molecular weight of 462.89 g/mol. Its IUPAC name is methyl 4-[[4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzoyl]amino]benzoate
PubChem CID43000828
Molecular FormulaC21H16ClFN2O5S
Molecular Weight462.89 g/mol
Exact Mass462.05
IUPAC Namemethyl 4-[[4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzoyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)cc1
InChIInChI=1S/C21H16ClFN2O5S/c1-30-21(27)14-4-6-15(7-5-14)24-20(26)13-2-8-16(9-3-13)25-31(28,29)17-10-11-19(23)18(22)12-17/h2-12,25H,1H3,(H,24,26)
InChIKeyJGBNRZPFBBRFEF-UHFFFAOYSA-N
XLogP4.32
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.89
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzoyl]amino]benzoate with MolForge

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Related Compounds

2-chloro-5-[[4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzoyl]amino]-N-methylbenzamide
CID 55990230
N-(4-chloro-2-fluorophenyl)-4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzamide
CID 26696432
4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide
CID 26593242
methyl 4-[[4-(pyridin-4-ylsulfamoyl)benzoyl]amino]benzoate
CID 39393529
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-methoxyphenyl)benzamide
CID 17391179
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide
CID 42053342
4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-pentan-2-ylbenzamide
CID 46538107
N-(4-chlorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7720348
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzamide
CID 7553542
4-[(4-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 9411666
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-hydroxyphenyl)benzamide
CID 112771839
4-[(3,4-difluorophenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)benzamide
CID 27537974

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzoyl]amino]benzoate?
The IUPAC name of methyl 4-[[4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzoyl]amino]benzoate (CID 43000828) is methyl 4-[[4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzoyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzoyl]amino]benzoate?
The canonical SMILES for methyl 4-[[4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzoyl]amino]benzoate is COC(=O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)cc1.
What is the InChIKey of methyl 4-[[4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzoyl]amino]benzoate?
The InChIKey is JGBNRZPFBBRFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN2O5S/c1-30-21(27)14-4-6-15(7-5-14)24-20(26)13-2-8-16(9-3-13)25-31(28,29)17-10-11-19(23)18(22)12-17/h2-12,25H,1H3,(H,24,26).
What are the key properties of methyl 4-[[4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzoyl]amino]benzoate?
methyl 4-[[4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzoyl]amino]benzoate has a molecular weight of 462.89 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzoyl]amino]benzoate is sourced from PubChem (CID 43000828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).