methyl 2-[2-[bis[(4-chlorophenyl)sulfonyl]amino]-4,5-dichlorophenoxy]benzoate

C26H17Cl4NO7S2 — CID 19430592

IUPACmethyl 2-[2-[bis[(4-chlorophenyl)sulfonyl]amino]-4,5-dichlorophenoxy]benzoate
SMILESCOC(=O)c1ccccc1Oc1cc(Cl)c(Cl)cc1N(S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C26H17Cl4NO7S2/c1-37-26(32)20-4-2-3-5-24(20)38-25-15-22(30)21(29)14-23(25)31(39(33,34)18-10-6-16(27)7-11-18)40(35,36)19-12-8-17(28)9-13-19/h2-15H,1H3
InChIKeyULXFQIYEMBXTHR-UHFFFAOYSA-N
MW661.37 g/mol
LogP7.46
Rot. Bonds8

About methyl 2-[2-[bis[(4-chlorophenyl)sulfonyl]amino]-4,5-dichlorophenoxy]benzoate

methyl 2-[2-[bis[(4-chlorophenyl)sulfonyl]amino]-4,5-dichlorophenoxy]benzoate (PubChem CID 19430592) has the molecular formula C26H17Cl4NO7S2 and a molecular weight of 661.37 g/mol. Its IUPAC name is methyl 2-[2-[bis[(4-chlorophenyl)sulfonyl]amino]-4,5-dichlorophenoxy]benzoate.

Molecular Properties

Compound Namemethyl 2-[2-[bis[(4-chlorophenyl)sulfonyl]amino]-4,5-dichlorophenoxy]benzoate
PubChem CID19430592
Molecular FormulaC26H17Cl4NO7S2
Molecular Weight661.37 g/mol
Exact Mass658.92
IUPAC Namemethyl 2-[2-[bis[(4-chlorophenyl)sulfonyl]amino]-4,5-dichlorophenoxy]benzoate
SMILESCOC(=O)c1ccccc1Oc1cc(Cl)c(Cl)cc1N(S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C26H17Cl4NO7S2/c1-37-26(32)20-4-2-3-5-24(20)38-25-15-22(30)21(29)14-23(25)31(39(33,34)18-10-6-16(27)7-11-18)40(35,36)19-12-8-17(28)9-13-19/h2-15H,1H3
InChIKeyULXFQIYEMBXTHR-UHFFFAOYSA-N
XLogP7.46
TPSA107.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.37
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[2-[bis[(4-chlorophenyl)sulfonyl]amino]-4,5-dichlorophenoxy]benzoate with MolForge

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Related Compounds

methyl 2-(3,5-dichlorophenoxy)benzoate
CID 15036758
2-(2-methoxycarbonylphenoxy)benzoic acid
CID 166513979
methyl 2-[[2-[(4-chlorophenyl)sulfonyl-ethylamino]acetyl]amino]benzoate
CID 2235771
(2-methoxycarbonylphenyl) 2,4-dichlorobenzoate
CID 837741
methyl 2-[4-(dimethylsulfamoyl)benzoyl]oxybenzoate
CID 17391310
methyl 2-[[2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]acetyl]amino]benzoate
CID 126061698
2-(N-(4-chlorophenyl)sulfonyl-2-methoxyanilino)acetic acid
CID 28590028
methyl 2-[(4-chlorophenyl)methyl-methylsulfonylamino]benzoate
CID 45031055
methyl 5-[bis(benzenesulfonyl)amino]-2-methoxybenzoate
CID 102105935
dimethyl 2-[[2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)acetyl]amino]benzene-1,4-dicarboxylate
CID 3476638
methyl 2-(4-bromo-2-fluorophenoxy)benzoate
CID 90285144
4-chloro-N-(3-chloro-2-methylphenyl)-N-(4-chlorophenyl)sulfonylbenzenesulfonamide
CID 4277205

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[bis[(4-chlorophenyl)sulfonyl]amino]-4,5-dichlorophenoxy]benzoate?
The IUPAC name of methyl 2-[2-[bis[(4-chlorophenyl)sulfonyl]amino]-4,5-dichlorophenoxy]benzoate (CID 19430592) is methyl 2-[2-[bis[(4-chlorophenyl)sulfonyl]amino]-4,5-dichlorophenoxy]benzoate.
What is the SMILES notation for methyl 2-[2-[bis[(4-chlorophenyl)sulfonyl]amino]-4,5-dichlorophenoxy]benzoate?
The canonical SMILES for methyl 2-[2-[bis[(4-chlorophenyl)sulfonyl]amino]-4,5-dichlorophenoxy]benzoate is COC(=O)c1ccccc1Oc1cc(Cl)c(Cl)cc1N(S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of methyl 2-[2-[bis[(4-chlorophenyl)sulfonyl]amino]-4,5-dichlorophenoxy]benzoate?
The InChIKey is ULXFQIYEMBXTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17Cl4NO7S2/c1-37-26(32)20-4-2-3-5-24(20)38-25-15-22(30)21(29)14-23(25)31(39(33,34)18-10-6-16(27)7-11-18)40(35,36)19-12-8-17(28)9-13-19/h2-15H,1H3.
What are the key properties of methyl 2-[2-[bis[(4-chlorophenyl)sulfonyl]amino]-4,5-dichlorophenoxy]benzoate?
methyl 2-[2-[bis[(4-chlorophenyl)sulfonyl]amino]-4,5-dichlorophenoxy]benzoate has a molecular weight of 661.37 g/mol, XLogP of 7.46, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[bis[(4-chlorophenyl)sulfonyl]amino]-4,5-dichlorophenoxy]benzoate is sourced from PubChem (CID 19430592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).