N-(5-acetamido-2-methylphenyl)-3-[(3-chlorophenyl)sulfamoyl]benzamide

C22H20ClN3O4S — CID 46454566

IUPACN-(5-acetamido-2-methylphenyl)-3-[(3-chlorophenyl)sulfamoyl]benzamide
SMILESCC(=O)Nc1ccc(C)c(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(Cl)c3)c2)c1
InChIInChI=1S/C22H20ClN3O4S/c1-14-9-10-18(24-15(2)27)13-21(14)25-22(28)16-5-3-8-20(11-16)31(29,30)26-19-7-4-6-17(23)12-19/h3-13,26H,1-2H3,(H,24,27)(H,25,28)
InChIKeyMMHJPRIPWIIPAI-UHFFFAOYSA-N
MW457.94 g/mol
LogP4.66
Rot. Bonds6

About N-(5-acetamido-2-methylphenyl)-3-[(3-chlorophenyl)sulfamoyl]benzamide

N-(5-acetamido-2-methylphenyl)-3-[(3-chlorophenyl)sulfamoyl]benzamide (PubChem CID 46454566) has the molecular formula C22H20ClN3O4S and a molecular weight of 457.94 g/mol. Its IUPAC name is N-(5-acetamido-2-methylphenyl)-3-[(3-chlorophenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methylphenyl)-3-[(3-chlorophenyl)sulfamoyl]benzamide
PubChem CID46454566
Molecular FormulaC22H20ClN3O4S
Molecular Weight457.94 g/mol
Exact Mass457.09
IUPAC NameN-(5-acetamido-2-methylphenyl)-3-[(3-chlorophenyl)sulfamoyl]benzamide
SMILESCC(=O)Nc1ccc(C)c(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(Cl)c3)c2)c1
InChIInChI=1S/C22H20ClN3O4S/c1-14-9-10-18(24-15(2)27)13-21(14)25-22(28)16-5-3-8-20(11-16)31(29,30)26-19-7-4-6-17(23)12-19/h3-13,26H,1-2H3,(H,24,27)(H,25,28)
InChIKeyMMHJPRIPWIIPAI-UHFFFAOYSA-N
XLogP4.66
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.94
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamido-3-chlorophenyl)-3-[(3-chlorophenyl)sulfamoyl]benzamide
CID 25471428
3-[(3-chlorophenyl)sulfamoyl]-N-(2-hydroxyphenyl)benzamide
CID 24564068
N-(5-acetamido-2-chlorophenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 55980726
2-[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 10296361
3-(benzenesulfonamido)-N-(3-chlorophenyl)benzamide
CID 7541939
3-[(3-chlorophenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26498991
3-[(3-chlorophenyl)sulfamoyl]-N-[3-(hydroxymethyl)phenyl]benzamide
CID 9300326
3-chloro-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 4940243
N-[4-[[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide
CID 26979177
3-acetyl-N-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 8504652
3-(benzenesulfonamido)-N-(3-chloro-4-methylphenyl)benzamide
CID 9412716
4-acetamido-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]benzamide
CID 26592920

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methylphenyl)-3-[(3-chlorophenyl)sulfamoyl]benzamide?
The IUPAC name of N-(5-acetamido-2-methylphenyl)-3-[(3-chlorophenyl)sulfamoyl]benzamide (CID 46454566) is N-(5-acetamido-2-methylphenyl)-3-[(3-chlorophenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(5-acetamido-2-methylphenyl)-3-[(3-chlorophenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(5-acetamido-2-methylphenyl)-3-[(3-chlorophenyl)sulfamoyl]benzamide is CC(=O)Nc1ccc(C)c(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(Cl)c3)c2)c1.
What is the InChIKey of N-(5-acetamido-2-methylphenyl)-3-[(3-chlorophenyl)sulfamoyl]benzamide?
The InChIKey is MMHJPRIPWIIPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O4S/c1-14-9-10-18(24-15(2)27)13-21(14)25-22(28)16-5-3-8-20(11-16)31(29,30)26-19-7-4-6-17(23)12-19/h3-13,26H,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N-(5-acetamido-2-methylphenyl)-3-[(3-chlorophenyl)sulfamoyl]benzamide?
N-(5-acetamido-2-methylphenyl)-3-[(3-chlorophenyl)sulfamoyl]benzamide has a molecular weight of 457.94 g/mol, XLogP of 4.66, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methylphenyl)-3-[(3-chlorophenyl)sulfamoyl]benzamide is sourced from PubChem (CID 46454566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).