N-(4-aminophenyl)sulfonylbenzamide

C13H12N2O3S — CID 5319

💊View drug profile → sulfabenzamide
IUPACN-(4-aminophenyl)sulfonylbenzamide
SMILESNc1ccc(S(=O)(=O)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C13H12N2O3S/c14-11-6-8-12(9-7-11)19(17,18)15-13(16)10-4-2-1-3-5-10/h1-9H,14H2,(H,15,16)
InChIKeyPBCZLFBEBARBBI-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.39
Rot. Bonds3

About N-(4-aminophenyl)sulfonylbenzamide

N-(4-aminophenyl)sulfonylbenzamide (PubChem CID 5319) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is N-(4-aminophenyl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(4-aminophenyl)sulfonylbenzamide
PubChem CID5319
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC NameN-(4-aminophenyl)sulfonylbenzamide
SMILESNc1ccc(S(=O)(=O)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C13H12N2O3S/c14-11-6-8-12(9-7-11)19(17,18)15-13(16)10-4-2-1-3-5-10/h1-9H,14H2,(H,15,16)
InChIKeyPBCZLFBEBARBBI-UHFFFAOYSA-N
XLogP1.39
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Belinostat
CID 6918638
N-(4-Sulfamoyl-phenyl)-benzamide
CID 721954
N-(4-acetylphenyl)-4-methylbenzene-1-sulfonamide
CID 563797
N-[4-(Aminosulfonyl)phenyl]-2-mercaptobenzamide
CID 462919
2-phenyl-N-(4-sulfamoylphenyl)acetamide
CID 729977
N-(4-(Aminosulfonyl)phenyl)-4-tert-butylbenzamide
CID 315810
Benzamide, N-((4-methylphenyl)sulfonyl)-
CID 81439
4-Benzenesulfonylamino-N-hydroxy-benzamide
CID 44328873
N-(4-acetylphenyl)benzenesulfonamide
CID 682447
2-[[(4-Fluorophenyl)sulfonyl]amino]benzamide
CID 788806
N-Sulfanilyl-3,4-xylamide
CID 67118
2,3,4,5,6-pentafluoro-N-(4-sulfamoylphenyl)benzamide
CID 4180608

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)sulfonylbenzamide?
The IUPAC name of N-(4-aminophenyl)sulfonylbenzamide (CID 5319) is N-(4-aminophenyl)sulfonylbenzamide.
What is the SMILES notation for N-(4-aminophenyl)sulfonylbenzamide?
The canonical SMILES for N-(4-aminophenyl)sulfonylbenzamide is Nc1ccc(S(=O)(=O)NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-(4-aminophenyl)sulfonylbenzamide?
The InChIKey is PBCZLFBEBARBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c14-11-6-8-12(9-7-11)19(17,18)15-13(16)10-4-2-1-3-5-10/h1-9H,14H2,(H,15,16).
What are the key properties of N-(4-aminophenyl)sulfonylbenzamide?
N-(4-aminophenyl)sulfonylbenzamide has a molecular weight of 276.32 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)sulfonylbenzamide is sourced from PubChem (CID 5319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).