5-[[4-[(4-acetylphenyl)sulfonylamino]benzoyl]amino]-2-chlorobenzamide

C22H18ClN3O5S — CID 36525734

IUPAC5-[[4-[(4-acetylphenyl)sulfonylamino]benzoyl]amino]-2-chlorobenzamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(Cl)c(C(N)=O)c3)cc2)cc1
InChIInChI=1S/C22H18ClN3O5S/c1-13(27)14-4-9-18(10-5-14)32(30,31)26-16-6-2-15(3-7-16)22(29)25-17-8-11-20(23)19(12-17)21(24)28/h2-12,26H,1H3,(H2,24,28)(H,25,29)
InChIKeyDMLPACYWLWKEET-UHFFFAOYSA-N
MW471.92 g/mol
LogP3.69
Rot. Bonds7

About 5-[[4-[(4-acetylphenyl)sulfonylamino]benzoyl]amino]-2-chlorobenzamide

5-[[4-[(4-acetylphenyl)sulfonylamino]benzoyl]amino]-2-chlorobenzamide (PubChem CID 36525734) has the molecular formula C22H18ClN3O5S and a molecular weight of 471.92 g/mol. Its IUPAC name is 5-[[4-[(4-acetylphenyl)sulfonylamino]benzoyl]amino]-2-chlorobenzamide.

Molecular Properties

Compound Name5-[[4-[(4-acetylphenyl)sulfonylamino]benzoyl]amino]-2-chlorobenzamide
PubChem CID36525734
Molecular FormulaC22H18ClN3O5S
Molecular Weight471.92 g/mol
Exact Mass471.07
IUPAC Name5-[[4-[(4-acetylphenyl)sulfonylamino]benzoyl]amino]-2-chlorobenzamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(Cl)c(C(N)=O)c3)cc2)cc1
InChIInChI=1S/C22H18ClN3O5S/c1-13(27)14-4-9-18(10-5-14)32(30,31)26-16-6-2-15(3-7-16)22(29)25-17-8-11-20(23)19(12-17)21(24)28/h2-12,26H,1H3,(H2,24,28)(H,25,29)
InChIKeyDMLPACYWLWKEET-UHFFFAOYSA-N
XLogP3.69
TPSA135.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.92
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide
CID 36525049
ethyl 5-[[4-(benzenesulfonamido)benzoyl]amino]-2-chlorobenzoate
CID 28573562
2-chloro-5-[[4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzoyl]amino]-N-methylbenzamide
CID 55990230
2-chloro-4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]amino]benzamide
CID 55641489
N-(5-acetamido-2-chlorophenyl)-4-(benzenesulfonamido)benzamide
CID 55981241
N-(4-acetylphenyl)-3-[(4-chlorophenyl)sulfamoyl]benzamide
CID 26663686
2-chloro-5-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 35546601
N-(4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 2687815
N-(4-amino-3,5-dichlorophenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24563955
N-(4-chlorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7720348
4-[(4-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 9411666
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzamide
CID 7553542

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(4-acetylphenyl)sulfonylamino]benzoyl]amino]-2-chlorobenzamide?
The IUPAC name of 5-[[4-[(4-acetylphenyl)sulfonylamino]benzoyl]amino]-2-chlorobenzamide (CID 36525734) is 5-[[4-[(4-acetylphenyl)sulfonylamino]benzoyl]amino]-2-chlorobenzamide.
What is the SMILES notation for 5-[[4-[(4-acetylphenyl)sulfonylamino]benzoyl]amino]-2-chlorobenzamide?
The canonical SMILES for 5-[[4-[(4-acetylphenyl)sulfonylamino]benzoyl]amino]-2-chlorobenzamide is CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(Cl)c(C(N)=O)c3)cc2)cc1.
What is the InChIKey of 5-[[4-[(4-acetylphenyl)sulfonylamino]benzoyl]amino]-2-chlorobenzamide?
The InChIKey is DMLPACYWLWKEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O5S/c1-13(27)14-4-9-18(10-5-14)32(30,31)26-16-6-2-15(3-7-16)22(29)25-17-8-11-20(23)19(12-17)21(24)28/h2-12,26H,1H3,(H2,24,28)(H,25,29).
What are the key properties of 5-[[4-[(4-acetylphenyl)sulfonylamino]benzoyl]amino]-2-chlorobenzamide?
5-[[4-[(4-acetylphenyl)sulfonylamino]benzoyl]amino]-2-chlorobenzamide has a molecular weight of 471.92 g/mol, XLogP of 3.69, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(4-acetylphenyl)sulfonylamino]benzoyl]amino]-2-chlorobenzamide is sourced from PubChem (CID 36525734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).