methyl 5-chloro-2-[(2,5-dichlorophenyl)sulfonylamino]benzoate

C14H10Cl3NO4S — CID 122187079

IUPACmethyl 5-chloro-2-[(2,5-dichlorophenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1cc(Cl)ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H10Cl3NO4S/c1-22-14(19)10-6-8(15)3-5-12(10)18-23(20,21)13-7-9(16)2-4-11(13)17/h2-7,18H,1H3
InChIKeyGWMNLBIKRRMXBM-UHFFFAOYSA-N
MW394.66 g/mol
LogP4.23
Rot. Bonds4

About methyl 5-chloro-2-[(2,5-dichlorophenyl)sulfonylamino]benzoate

methyl 5-chloro-2-[(2,5-dichlorophenyl)sulfonylamino]benzoate (PubChem CID 122187079) has the molecular formula C14H10Cl3NO4S and a molecular weight of 394.66 g/mol. Its IUPAC name is methyl 5-chloro-2-[(2,5-dichlorophenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Namemethyl 5-chloro-2-[(2,5-dichlorophenyl)sulfonylamino]benzoate
PubChem CID122187079
Molecular FormulaC14H10Cl3NO4S
Molecular Weight394.66 g/mol
Exact Mass392.94
IUPAC Namemethyl 5-chloro-2-[(2,5-dichlorophenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1cc(Cl)ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H10Cl3NO4S/c1-22-14(19)10-6-8(15)3-5-12(10)18-23(20,21)13-7-9(16)2-4-11(13)17/h2-7,18H,1H3
InChIKeyGWMNLBIKRRMXBM-UHFFFAOYSA-N
XLogP4.23
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.66
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-chloro-5-[(2,5-dichlorophenyl)sulfonylamino]benzoate
CID 40715475
methyl 5-chloro-2-(methanesulfonamido)benzoate
CID 18350480
methyl 5-chloro-2-(sulfamoylamino)benzoate
CID 112573330
methyl 3-[(2,5-dichlorophenyl)sulfonylamino]thiophene-2-carboxylate
CID 1358389
methyl 2-[(2,4-dichlorophenyl)sulfamoyl]benzoate
CID 54141617
methyl 2-(bromomethylsulfonylamino)-5-chlorobenzoate
CID 83085221
4-chloro-2-[(2,5-dichlorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 39000948
2,5-dichloro-N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide
CID 1005068
2,5-dichloro-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide
CID 7303998
N-(2-bromo-4-chlorophenyl)-2,5-dichlorobenzenesulfonamide
CID 81273911
methyl 3-[(2,5-dichlorophenyl)sulfamoyl]-4-fluorobenzoate
CID 95036267
methyl 5-bromo-2-[(4-chloro-2-fluorophenyl)sulfamoyl]benzoate
CID 51557872

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-2-[(2,5-dichlorophenyl)sulfonylamino]benzoate?
The IUPAC name of methyl 5-chloro-2-[(2,5-dichlorophenyl)sulfonylamino]benzoate (CID 122187079) is methyl 5-chloro-2-[(2,5-dichlorophenyl)sulfonylamino]benzoate.
What is the SMILES notation for methyl 5-chloro-2-[(2,5-dichlorophenyl)sulfonylamino]benzoate?
The canonical SMILES for methyl 5-chloro-2-[(2,5-dichlorophenyl)sulfonylamino]benzoate is COC(=O)c1cc(Cl)ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of methyl 5-chloro-2-[(2,5-dichlorophenyl)sulfonylamino]benzoate?
The InChIKey is GWMNLBIKRRMXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3NO4S/c1-22-14(19)10-6-8(15)3-5-12(10)18-23(20,21)13-7-9(16)2-4-11(13)17/h2-7,18H,1H3.
What are the key properties of methyl 5-chloro-2-[(2,5-dichlorophenyl)sulfonylamino]benzoate?
methyl 5-chloro-2-[(2,5-dichlorophenyl)sulfonylamino]benzoate has a molecular weight of 394.66 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-2-[(2,5-dichlorophenyl)sulfonylamino]benzoate is sourced from PubChem (CID 122187079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).