N-[(3,4-dichlorophenyl)methyl]-2-[[2-(4-hydroxyanilino)-2-oxoethyl]sulfamoyl]benzamide

C22H19Cl2N3O5S — CID 146660774

IUPACN-[(3,4-dichlorophenyl)methyl]-2-[[2-(4-hydroxyanilino)-2-oxoethyl]sulfamoyl]benzamide
SMILESO=C(CNS(=O)(=O)c1ccccc1C(=O)NCc1ccc(Cl)c(Cl)c1)Nc1ccc(O)cc1
InChIInChI=1S/C22H19Cl2N3O5S/c23-18-10-5-14(11-19(18)24)12-25-22(30)17-3-1-2-4-20(17)33(31,32)26-13-21(29)27-15-6-8-16(28)9-7-15/h1-11,26,28H,12-13H2,(H,25,30)(H,27,29)
InChIKeyGZMNVGLLXJLTLY-UHFFFAOYSA-N
MW508.38 g/mol
LogP3.55
Rot. Bonds8

About N-[(3,4-dichlorophenyl)methyl]-2-[[2-(4-hydroxyanilino)-2-oxoethyl]sulfamoyl]benzamide

N-[(3,4-dichlorophenyl)methyl]-2-[[2-(4-hydroxyanilino)-2-oxoethyl]sulfamoyl]benzamide (PubChem CID 146660774) has the molecular formula C22H19Cl2N3O5S and a molecular weight of 508.38 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-2-[[2-(4-hydroxyanilino)-2-oxoethyl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-2-[[2-(4-hydroxyanilino)-2-oxoethyl]sulfamoyl]benzamide
PubChem CID146660774
Molecular FormulaC22H19Cl2N3O5S
Molecular Weight508.38 g/mol
Exact Mass507.04
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-2-[[2-(4-hydroxyanilino)-2-oxoethyl]sulfamoyl]benzamide
SMILESO=C(CNS(=O)(=O)c1ccccc1C(=O)NCc1ccc(Cl)c(Cl)c1)Nc1ccc(O)cc1
InChIInChI=1S/C22H19Cl2N3O5S/c23-18-10-5-14(11-19(18)24)12-25-22(30)17-3-1-2-4-20(17)33(31,32)26-13-21(29)27-15-6-8-16(28)9-7-15/h1-11,26,28H,12-13H2,(H,25,30)(H,27,29)
InChIKeyGZMNVGLLXJLTLY-UHFFFAOYSA-N
XLogP3.55
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.38
LogP ≤ 53.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-[[2-[4-(3,4-dichlorophenyl)anilino]-2-oxoethyl]sulfamoyl]benzoic acid
CID 46880353
2-chloro-N-[2-(3,4-dichloroanilino)-2-oxoethyl]benzamide
CID 9411490
methyl 2-[(2-anilino-2-oxoethyl)sulfamoyl]benzoate
CID 12857942
2-[[2-(4-hydroxyanilino)-2-oxoethyl]sulfamoyl]-N-methylbenzamide;2-[3-(4-hydroxyphenyl)-2-oxopropyl]-1,1-dioxo-1,2-benzothiazol-3-one;methane
CID 158353624
N-[[4-[[(2-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methylbenzamide
CID 155516741
N-(4-chlorophenyl)-2-[(2-methylphenyl)sulfonylamino]acetamide
CID 112997960
N-[(4-chlorophenyl)methyl]-2-[(2-chlorophenyl)sulfonylamino]acetamide
CID 110285339
N-(3,4-dichlorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]acetamide
CID 113001221
2-[(2-cyanophenyl)sulfonylamino]-N-(4-propylphenyl)acetamide
CID 9293998
2-[(2-chlorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
CID 112993228
[2-(4-hydroxyanilino)-2-oxoethyl] 3-(benzylsulfamoyl)-4-chlorobenzoate
CID 27908389
2-hydroxy-N-[(4-hydroxyphenyl)methyl]benzamide
CID 47148502

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-[[2-(4-hydroxyanilino)-2-oxoethyl]sulfamoyl]benzamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-[[2-(4-hydroxyanilino)-2-oxoethyl]sulfamoyl]benzamide (CID 146660774) is N-[(3,4-dichlorophenyl)methyl]-2-[[2-(4-hydroxyanilino)-2-oxoethyl]sulfamoyl]benzamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-2-[[2-(4-hydroxyanilino)-2-oxoethyl]sulfamoyl]benzamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-2-[[2-(4-hydroxyanilino)-2-oxoethyl]sulfamoyl]benzamide is O=C(CNS(=O)(=O)c1ccccc1C(=O)NCc1ccc(Cl)c(Cl)c1)Nc1ccc(O)cc1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-2-[[2-(4-hydroxyanilino)-2-oxoethyl]sulfamoyl]benzamide?
The InChIKey is GZMNVGLLXJLTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2N3O5S/c23-18-10-5-14(11-19(18)24)12-25-22(30)17-3-1-2-4-20(17)33(31,32)26-13-21(29)27-15-6-8-16(28)9-7-15/h1-11,26,28H,12-13H2,(H,25,30)(H,27,29).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-2-[[2-(4-hydroxyanilino)-2-oxoethyl]sulfamoyl]benzamide?
N-[(3,4-dichlorophenyl)methyl]-2-[[2-(4-hydroxyanilino)-2-oxoethyl]sulfamoyl]benzamide has a molecular weight of 508.38 g/mol, XLogP of 3.55, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-2-[[2-(4-hydroxyanilino)-2-oxoethyl]sulfamoyl]benzamide is sourced from PubChem (CID 146660774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).