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

C36H26Cl8N4O10S2 — CID 3469523

IUPAC2,4-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
SMILESCOc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)Nc3cc(Cl)c(NC(=O)c4cc(S(=O)(=O)Nc5cc(Cl)c(OC)cc5OC)c(Cl)cc4Cl)c(Cl)c3)c(Cl)cc2Cl)cc1Cl
InChIInChI=1S/C36H26Cl8N4O10S2/c1-55-28-13-30(57-3)26(11-20(28)39)47-59(51,52)32-7-16(18(37)9-22(32)41)35(49)45-15-5-24(43)34(25(44)6-15)46-36(50)17-8-33(23(42)10-19(17)38)60(53,54)48-27-12-21(40)29(56-2)14-31(27)58-4/h5-14,47-48H,1-4H3,(H,45,49)(H,46,50)
InChIKeyKVOJHRKPPKSZSQ-UHFFFAOYSA-N
MW1022.38 g/mol
LogP11.05
Rot. Bonds14

About 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

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 (PubChem CID 3469523) has the molecular formula C36H26Cl8N4O10S2 and a molecular weight of 1022.38 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,4-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
PubChem CID3469523
Molecular FormulaC36H26Cl8N4O10S2
Molecular Weight1022.38 g/mol
Exact Mass1017.86
IUPAC Name2,4-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
SMILESCOc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)Nc3cc(Cl)c(NC(=O)c4cc(S(=O)(=O)Nc5cc(Cl)c(OC)cc5OC)c(Cl)cc4Cl)c(Cl)c3)c(Cl)cc2Cl)cc1Cl
InChIInChI=1S/C36H26Cl8N4O10S2/c1-55-28-13-30(57-3)26(11-20(28)39)47-59(51,52)32-7-16(18(37)9-22(32)41)35(49)45-15-5-24(43)34(25(44)6-15)46-36(50)17-8-33(23(42)10-19(17)38)60(53,54)48-27-12-21(40)29(56-2)14-31(27)58-4/h5-14,47-48H,1-4H3,(H,45,49)(H,46,50)
InChIKeyKVOJHRKPPKSZSQ-UHFFFAOYSA-N
XLogP11.05
TPSA187.46 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001022.38
LogP ≤ 511.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

N-(4-amino-3,5-dichlorophenyl)-2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzamide
CID 2345083
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]benzoate
CID 2368816
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-(cyclopropylsulfamoyl)-N-(3,4-dimethoxyphenyl)benzamide
CID 19258290
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-chloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide
CID 16573409
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(4-methoxyphenyl)benzamide
CID 5295477
methyl N-(5-chloro-2,4-dimethoxyphenyl)carbamate
CID 17173078
2,5-dichloro-N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide
CID 1005068
4-chloro-3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 55867170

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)Nc3cc(Cl)c(NC(=O)c4cc(S(=O)(=O)Nc5cc(Cl)c(OC)cc5OC)c(Cl)cc4Cl)c(Cl)c3)c(Cl)cc2Cl)cc1Cl.
What is the InChIKey of 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?
The InChIKey is KVOJHRKPPKSZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26Cl8N4O10S2/c1-55-28-13-30(57-3)26(11-20(28)39)47-59(51,52)32-7-16(18(37)9-22(32)41)35(49)45-15-5-24(43)34(25(44)6-15)46-36(50)17-8-33(23(42)10-19(17)38)60(53,54)48-27-12-21(40)29(56-2)14-31(27)58-4/h5-14,47-48H,1-4H3,(H,45,49)(H,46,50).
What are the key properties of 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?
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 has a molecular weight of 1022.38 g/mol, XLogP of 11.05, 14 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 3469523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).