2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzoate

C15H11Cl3NO6S- — CID 2368816

IUPAC2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzoate
SMILESCOc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)cc1Cl
InChIInChI=1S/C15H12Cl3NO6S/c1-24-12-6-13(25-2)11(5-9(12)17)19-26(22,23)14-3-7(15(20)21)8(16)4-10(14)18/h3-6,19H,1-2H3,(H,20,21)/p-1
InChIKeyGZRALVIQOKBQGS-UHFFFAOYSA-M
MW439.68 g/mol
LogP2.83
Rot. Bonds6

About 2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzoate

2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzoate (PubChem CID 2368816) has the molecular formula C15H11Cl3NO6S- and a molecular weight of 439.68 g/mol. Its IUPAC name is 2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzoate
PubChem CID2368816
Molecular FormulaC15H11Cl3NO6S-
Molecular Weight439.68 g/mol
Exact Mass437.94
IUPAC Name2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzoate
SMILESCOc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)cc1Cl
InChIInChI=1S/C15H12Cl3NO6S/c1-24-12-6-13(25-2)11(5-9(12)17)19-26(22,23)14-3-7(15(20)21)8(16)4-10(14)18/h3-6,19H,1-2H3,(H,20,21)/p-1
InChIKeyGZRALVIQOKBQGS-UHFFFAOYSA-M
XLogP2.83
TPSA104.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.68
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(2,4,5-trichlorophenyl)benzamide
CID 5178353
2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-[3,5-dichloro-4-[[2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzoyl]amino]phenyl]benzamide
CID 3469523
N-(4-amino-3,5-dichlorophenyl)-2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzamide
CID 2345083
2,4-dichloro-5-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoic acid
CID 2471817
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzoate
CID 25041466
2,4-dichloro-N-(5-chloro-2,4-dimethoxyphenyl)-5-[[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)amino]carbamoyl]benzenesulfonamide
CID 167975018
2,4-dichloro-5-(naphthalen-1-ylsulfamoyl)benzoate
CID 7042318
2,5-dichloro-N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide
CID 1005068
1-chloro-5-(dimethylsulfamoylamino)-2,4-dimethoxybenzene
CID 35767285
5-tert-butyl-N-(5-chloro-2,4-dimethoxyphenyl)-2-methylbenzenesulfonamide
CID 7938313
2,4-dichloro-5-[(4-methoxyphenyl)methylsulfamoyl]benzoate
CID 2119292
N-(5-chloro-2,4-dimethoxyphenyl)-4-(dimethylamino)benzenesulfonamide
CID 167884327

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzoate?
The IUPAC name of 2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzoate (CID 2368816) is 2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzoate.
What is the SMILES notation for 2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzoate?
The canonical SMILES for 2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzoate is COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzoate?
The InChIKey is GZRALVIQOKBQGS-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H12Cl3NO6S/c1-24-12-6-13(25-2)11(5-9(12)17)19-26(22,23)14-3-7(15(20)21)8(16)4-10(14)18/h3-6,19H,1-2H3,(H,20,21)/p-1.
What are the key properties of 2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzoate?
2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzoate has a molecular weight of 439.68 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzoate is sourced from PubChem (CID 2368816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).