4-chloro-N-(4-ethoxyphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide

C22H21ClN2O4S — CID 126387201

IUPAC4-chloro-N-(4-ethoxyphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3)c2)cc1
InChIInChI=1S/C22H21ClN2O4S/c1-3-29-19-10-8-17(9-11-19)24-22(26)16-7-12-20(23)21(14-16)30(27,28)25-18-6-4-5-15(2)13-18/h4-14,25H,3H2,1-2H3,(H,24,26)
InChIKeyVRQDDAMTEHQLAU-UHFFFAOYSA-N
MW444.94 g/mol
LogP5.10
Rot. Bonds7

About 4-chloro-N-(4-ethoxyphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide

4-chloro-N-(4-ethoxyphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide (PubChem CID 126387201) has the molecular formula C22H21ClN2O4S and a molecular weight of 444.94 g/mol. Its IUPAC name is 4-chloro-N-(4-ethoxyphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-(4-ethoxyphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
PubChem CID126387201
Molecular FormulaC22H21ClN2O4S
Molecular Weight444.94 g/mol
Exact Mass444.09
IUPAC Name4-chloro-N-(4-ethoxyphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3)c2)cc1
InChIInChI=1S/C22H21ClN2O4S/c1-3-29-19-10-8-17(9-11-19)24-22(26)16-7-12-20(23)21(14-16)30(27,28)25-18-6-4-5-15(2)13-18/h4-14,25H,3H2,1-2H3,(H,24,26)
InChIKeyVRQDDAMTEHQLAU-UHFFFAOYSA-N
XLogP5.10
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.94
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 126415208
4-chloro-N-(3,5-dimethylphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126388373
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-chloro-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 3483233
N-(4-bromo-3-methylphenyl)-4-chloro-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126414226
4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 26537872
5-(benzamidocarbamoyl)-2-chloro-N-(4-ethoxyphenyl)benzenesulfonamide
CID 27555838
4-chloro-N-(2-chlorophenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126388395
4-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126415021
4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-hydroxy-2-pyridinyl)benzamide
CID 30161951
ethyl 4-[[4-methyl-3-[(3-methylphenyl)sulfamoyl]benzoyl]amino]benzoate
CID 3610783
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-phenylbenzamide
CID 1102140
4-chloro-N-[6-(dimethylamino)-3-pyridinyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 30295727

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-ethoxyphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of 4-chloro-N-(4-ethoxyphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide (CID 126387201) is 4-chloro-N-(4-ethoxyphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for 4-chloro-N-(4-ethoxyphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for 4-chloro-N-(4-ethoxyphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide is CCOc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3)c2)cc1.
What is the InChIKey of 4-chloro-N-(4-ethoxyphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide?
The InChIKey is VRQDDAMTEHQLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O4S/c1-3-29-19-10-8-17(9-11-19)24-22(26)16-7-12-20(23)21(14-16)30(27,28)25-18-6-4-5-15(2)13-18/h4-14,25H,3H2,1-2H3,(H,24,26).
What are the key properties of 4-chloro-N-(4-ethoxyphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide?
4-chloro-N-(4-ethoxyphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide has a molecular weight of 444.94 g/mol, XLogP of 5.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-ethoxyphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 126387201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).