2-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide

C21H19N3O4S — CID 53279919

IUPAC2-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3C(N)=O)cc2)cc1
InChIInChI=1S/C21H19N3O4S/c1-14-6-12-17(13-7-14)29(27,28)24-16-10-8-15(9-11-16)21(26)23-19-5-3-2-4-18(19)20(22)25/h2-13,24H,1H3,(H2,22,25)(H,23,26)
InChIKeyVQQRELLLXKMBCZ-UHFFFAOYSA-N
MW409.47 g/mol
LogP3.15
Rot. Bonds6

About 2-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide

2-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide (PubChem CID 53279919) has the molecular formula C21H19N3O4S and a molecular weight of 409.47 g/mol. Its IUPAC name is 2-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide.

Molecular Properties

Compound Name2-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide
PubChem CID53279919
Molecular FormulaC21H19N3O4S
Molecular Weight409.47 g/mol
Exact Mass409.11
IUPAC Name2-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3C(N)=O)cc2)cc1
InChIInChI=1S/C21H19N3O4S/c1-14-6-12-17(13-7-14)29(27,28)24-16-10-8-15(9-11-16)21(26)23-19-5-3-2-4-18(19)20(22)25/h2-13,24H,1H3,(H2,22,25)(H,23,26)
InChIKeyVQQRELLLXKMBCZ-UHFFFAOYSA-N
XLogP3.15
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzoyl]amino]benzamide
CID 55439570
N-(4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 2687815
4-[(4-methylphenyl)sulfonylamino]benzamide
CID 837332
N-(3-chloro-2-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 9414091
2-[[4-(benzenesulfonamido)benzoyl]amino]-N-propan-2-ylbenzamide
CID 2979282
N-(2-benzoyl-4-bromophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 121043946
N-(2,6-dimethylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 109061714
N-(2-chloro-4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 26637724
N-(4-iodophenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 126385456
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 37093234
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 2982317
N-(4-chlorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7720348

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide?
The IUPAC name of 2-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide (CID 53279919) is 2-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide.
What is the SMILES notation for 2-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide?
The canonical SMILES for 2-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide is Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3C(N)=O)cc2)cc1.
What is the InChIKey of 2-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide?
The InChIKey is VQQRELLLXKMBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4S/c1-14-6-12-17(13-7-14)29(27,28)24-16-10-8-15(9-11-16)21(26)23-19-5-3-2-4-18(19)20(22)25/h2-13,24H,1H3,(H2,22,25)(H,23,26).
What are the key properties of 2-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide?
2-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide has a molecular weight of 409.47 g/mol, XLogP of 3.15, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide is sourced from PubChem (CID 53279919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).