methyl 4-chloro-3-[(4-chloro-2-fluorophenyl)sulfonylamino]benzoate

C14H10Cl2FNO4S — CID 8500236

IUPACmethyl 4-chloro-3-[(4-chloro-2-fluorophenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(Cl)cc2F)c1
InChIInChI=1S/C14H10Cl2FNO4S/c1-22-14(19)8-2-4-10(16)12(6-8)18-23(20,21)13-5-3-9(15)7-11(13)17/h2-7,18H,1H3
InChIKeyJGRPJXQRQXWXOW-UHFFFAOYSA-N
MW378.21 g/mol
LogP3.72
Rot. Bonds4

About methyl 4-chloro-3-[(4-chloro-2-fluorophenyl)sulfonylamino]benzoate

methyl 4-chloro-3-[(4-chloro-2-fluorophenyl)sulfonylamino]benzoate (PubChem CID 8500236) has the molecular formula C14H10Cl2FNO4S and a molecular weight of 378.21 g/mol. Its IUPAC name is methyl 4-chloro-3-[(4-chloro-2-fluorophenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-[(4-chloro-2-fluorophenyl)sulfonylamino]benzoate
PubChem CID8500236
Molecular FormulaC14H10Cl2FNO4S
Molecular Weight378.21 g/mol
Exact Mass376.97
IUPAC Namemethyl 4-chloro-3-[(4-chloro-2-fluorophenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(Cl)cc2F)c1
InChIInChI=1S/C14H10Cl2FNO4S/c1-22-14(19)8-2-4-10(16)12(6-8)18-23(20,21)13-5-3-9(15)7-11(13)17/h2-7,18H,1H3
InChIKeyJGRPJXQRQXWXOW-UHFFFAOYSA-N
XLogP3.72
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.21
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(2,5-dichlorophenyl)sulfamoyl]-4-fluorobenzoate
CID 95036267
dimethyl 2-[(5-chloro-2-fluorophenyl)sulfamoyl]benzene-1,4-dicarboxylate
CID 4794038
methyl 3-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonylamino]-4-methylbenzoate
CID 17480007
4-chloro-3-[(4-chloro-2-methylphenyl)sulfonylamino]benzamide
CID 60531609
methyl 5-bromo-2-[(4-chloro-2-fluorophenyl)sulfamoyl]benzoate
CID 51557872
methyl 4-chloro-3-(1H-pyrazol-5-ylsulfonylamino)benzoate
CID 102691733
methyl 5-chloro-2-[(2,5-dichlorophenyl)sulfonylamino]benzoate
CID 122187079
methyl 3-[(4-aminothiophen-2-yl)sulfonylamino]-4-chlorobenzoate
CID 61300755
3-amino-N-(2,5-dichlorophenyl)-2,4-difluorobenzenesulfonamide
CID 107343077
methyl 4-chloro-3-[(2,5-difluorophenyl)methylamino]benzoate
CID 43714708
4-chloro-3-[(4-fluoro-2-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 39000293
methyl 4-chloro-3-[(2,4-dichlorophenyl)carbamoylamino]benzoate
CID 108992420

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-[(4-chloro-2-fluorophenyl)sulfonylamino]benzoate?
The IUPAC name of methyl 4-chloro-3-[(4-chloro-2-fluorophenyl)sulfonylamino]benzoate (CID 8500236) is methyl 4-chloro-3-[(4-chloro-2-fluorophenyl)sulfonylamino]benzoate.
What is the SMILES notation for methyl 4-chloro-3-[(4-chloro-2-fluorophenyl)sulfonylamino]benzoate?
The canonical SMILES for methyl 4-chloro-3-[(4-chloro-2-fluorophenyl)sulfonylamino]benzoate is COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(Cl)cc2F)c1.
What is the InChIKey of methyl 4-chloro-3-[(4-chloro-2-fluorophenyl)sulfonylamino]benzoate?
The InChIKey is JGRPJXQRQXWXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2FNO4S/c1-22-14(19)8-2-4-10(16)12(6-8)18-23(20,21)13-5-3-9(15)7-11(13)17/h2-7,18H,1H3.
What are the key properties of methyl 4-chloro-3-[(4-chloro-2-fluorophenyl)sulfonylamino]benzoate?
methyl 4-chloro-3-[(4-chloro-2-fluorophenyl)sulfonylamino]benzoate has a molecular weight of 378.21 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-[(4-chloro-2-fluorophenyl)sulfonylamino]benzoate is sourced from PubChem (CID 8500236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).