N-[4-(acetylsulfamoyl)phenyl]-4-benzamidobenzamide

C22H19N3O5S — CID 17153285

IUPACN-[4-(acetylsulfamoyl)phenyl]-4-benzamidobenzamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C22H19N3O5S/c1-15(26)25-31(29,30)20-13-11-19(12-14-20)24-22(28)17-7-9-18(10-8-17)23-21(27)16-5-3-2-4-6-16/h2-14H,1H3,(H,23,27)(H,24,28)(H,25,26)
InChIKeyPRIVHNOXBCIIGS-UHFFFAOYSA-N
MW437.48 g/mol
LogP3.02
Rot. Bonds6

About N-[4-(acetylsulfamoyl)phenyl]-4-benzamidobenzamide

N-[4-(acetylsulfamoyl)phenyl]-4-benzamidobenzamide (PubChem CID 17153285) has the molecular formula C22H19N3O5S and a molecular weight of 437.48 g/mol. Its IUPAC name is N-[4-(acetylsulfamoyl)phenyl]-4-benzamidobenzamide.

Molecular Properties

Compound NameN-[4-(acetylsulfamoyl)phenyl]-4-benzamidobenzamide
PubChem CID17153285
Molecular FormulaC22H19N3O5S
Molecular Weight437.48 g/mol
Exact Mass437.10
IUPAC NameN-[4-(acetylsulfamoyl)phenyl]-4-benzamidobenzamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C22H19N3O5S/c1-15(26)25-31(29,30)20-13-11-19(12-14-20)24-22(28)17-7-9-18(10-8-17)23-21(27)16-5-3-2-4-6-16/h2-14H,1H3,(H,23,27)(H,24,28)(H,25,26)
InChIKeyPRIVHNOXBCIIGS-UHFFFAOYSA-N
XLogP3.02
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(acetylsulfamoyl)phenyl]-4-bromobenzamide
CID 4134405
N-[4-(acetylsulfamoyl)phenyl]-2,2-diphenylacetamide
CID 2422278
N-[4-[(2-hydrazinyl-2-oxoacetyl)sulfamoyl]phenyl]benzamide
CID 21204126
N-[4-(acetylsulfamoyl)phenyl]-3-bromo-4-methylbenzamide
CID 4509095
N-[4-(acetylsulfamoyl)phenyl]-3-(2-methylpropanoylamino)benzamide
CID 5167519
N-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzamide
CID 3293465
N-[4-(acetylsulfamoyl)phenyl]-2-methoxybenzamide
CID 803307
N-[4-(acetylsulfamoyl)phenyl]-1-phenylpyrrole-2-carboxamide
CID 177371080
N-[4-(acetylsulfamoyl)phenyl]-3,4-diethoxybenzamide
CID 3487995
4-(ethylsulfamoyl)-N-phenylbenzamide
CID 1262046
N-(4-acetamidophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 27648936
N-[4-[[3-[(4-benzamidophenyl)sulfonylcarbamoylamino]-4-methylphenyl]carbamoylsulfamoyl]phenyl]benzamide
CID 139878369

Frequently Asked Questions

What is the IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-4-benzamidobenzamide?
The IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-4-benzamidobenzamide (CID 17153285) is N-[4-(acetylsulfamoyl)phenyl]-4-benzamidobenzamide.
What is the SMILES notation for N-[4-(acetylsulfamoyl)phenyl]-4-benzamidobenzamide?
The canonical SMILES for N-[4-(acetylsulfamoyl)phenyl]-4-benzamidobenzamide is CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-(acetylsulfamoyl)phenyl]-4-benzamidobenzamide?
The InChIKey is PRIVHNOXBCIIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O5S/c1-15(26)25-31(29,30)20-13-11-19(12-14-20)24-22(28)17-7-9-18(10-8-17)23-21(27)16-5-3-2-4-6-16/h2-14H,1H3,(H,23,27)(H,24,28)(H,25,26).
What are the key properties of N-[4-(acetylsulfamoyl)phenyl]-4-benzamidobenzamide?
N-[4-(acetylsulfamoyl)phenyl]-4-benzamidobenzamide has a molecular weight of 437.48 g/mol, XLogP of 3.02, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(acetylsulfamoyl)phenyl]-4-benzamidobenzamide is sourced from PubChem (CID 17153285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).