N-[2-(2,4-dichlorophenyl)ethyl]-3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxybenzamide

C22H18Cl4N2O4S — CID 2110113

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCc2ccc(Cl)cc2Cl)cc1S(=O)(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C22H18Cl4N2O4S/c1-32-20-7-3-14(22(29)27-9-8-13-2-4-15(23)11-18(13)26)10-21(20)33(30,31)28-19-12-16(24)5-6-17(19)25/h2-7,10-12,28H,8-9H2,1H3,(H,27,29)
InChIKeyXFXSCMSRRQUJJY-UHFFFAOYSA-N
MW548.28 g/mol
LogP6.08
Rot. Bonds8

About N-[2-(2,4-dichlorophenyl)ethyl]-3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxybenzamide

N-[2-(2,4-dichlorophenyl)ethyl]-3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxybenzamide (PubChem CID 2110113) has the molecular formula C22H18Cl4N2O4S and a molecular weight of 548.28 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxybenzamide
PubChem CID2110113
Molecular FormulaC22H18Cl4N2O4S
Molecular Weight548.28 g/mol
Exact Mass545.97
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCc2ccc(Cl)cc2Cl)cc1S(=O)(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C22H18Cl4N2O4S/c1-32-20-7-3-14(22(29)27-9-8-13-2-4-15(23)11-18(13)26)10-21(20)33(30,31)28-19-12-16(24)5-6-17(19)25/h2-7,10-12,28H,8-9H2,1H3,(H,27,29)
InChIKeyXFXSCMSRRQUJJY-UHFFFAOYSA-N
XLogP6.08
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.28
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(2,4-dichlorophenyl)ethyl]-3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxy-N-(3-methylbutan-2-yl)benzamide
CID 43016572
N-(1,3-benzodioxol-5-yl)-3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxybenzamide
CID 4781795
N-(2,5-dichlorophenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 40742127
4-chloro-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylsulfonylbenzamide
CID 26458889
4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,5-dimethylphenyl)sulfamoyl]benzamide
CID 3595994
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxybenzoate
CID 2481604
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389
methyl 3-[(2,5-dichlorophenyl)sulfamoyl]-4-fluorobenzoate
CID 95036267
N-[2-(2,4-dichlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide
CID 29051396
N-[(2,4-dichlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126415166
4-chloro-N-[(2,4-dichlorophenyl)methyl]-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 3578493
2-[3-[(5-chloro-2-fluorophenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
CID 47060143

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxybenzamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxybenzamide (CID 2110113) is N-[2-(2,4-dichlorophenyl)ethyl]-3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxybenzamide is COc1ccc(C(=O)NCCc2ccc(Cl)cc2Cl)cc1S(=O)(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxybenzamide?
The InChIKey is XFXSCMSRRQUJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl4N2O4S/c1-32-20-7-3-14(22(29)27-9-8-13-2-4-15(23)11-18(13)26)10-21(20)33(30,31)28-19-12-16(24)5-6-17(19)25/h2-7,10-12,28H,8-9H2,1H3,(H,27,29).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxybenzamide?
N-[2-(2,4-dichlorophenyl)ethyl]-3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxybenzamide has a molecular weight of 548.28 g/mol, XLogP of 6.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxybenzamide is sourced from PubChem (CID 2110113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).