4-acetylbenzenesulfonamide;4-aminobenzenesulfonamide

C14H17N3O5S2 — CID 158952098

IUPAC4-acetylbenzenesulfonamide;4-aminobenzenesulfonamide
SMILESCC(=O)c1ccc(S(N)(=O)=O)cc1.Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C8H9NO3S.C6H8N2O2S/c1-6(10)7-2-4-8(5-3-7)13(9,11)12;7-5-1-3-6(4-2-5)11(8,9)10/h2-5H,1H3,(H2,9,11,12);1-4H,7H2,(H2,8,9,10)
InChIKeyJLOCWVVUHSUAEB-UHFFFAOYSA-N
MW371.44 g/mol
LogP0.45
Rot. Bonds3

About 4-acetylbenzenesulfonamide;4-aminobenzenesulfonamide

4-acetylbenzenesulfonamide;4-aminobenzenesulfonamide (PubChem CID 158952098) has the molecular formula C14H17N3O5S2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 4-acetylbenzenesulfonamide;4-aminobenzenesulfonamide.

Molecular Properties

Compound Name4-acetylbenzenesulfonamide;4-aminobenzenesulfonamide
PubChem CID158952098
Molecular FormulaC14H17N3O5S2
Molecular Weight371.44 g/mol
Exact Mass371.06
IUPAC Name4-acetylbenzenesulfonamide;4-aminobenzenesulfonamide
SMILESCC(=O)c1ccc(S(N)(=O)=O)cc1.Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C8H9NO3S.C6H8N2O2S/c1-6(10)7-2-4-8(5-3-7)13(9,11)12;7-5-1-3-6(4-2-5)11(8,9)10/h2-5H,1H3,(H2,9,11,12);1-4H,7H2,(H2,8,9,10)
InChIKeyJLOCWVVUHSUAEB-UHFFFAOYSA-N
XLogP0.45
TPSA163.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

acetamide;4-aminobenzenesulfonamide
CID 175093651
4-acetylbenzenesulfonamide;2-oxo-2-(4-sulfamoylphenyl)acetic acid
CID 161079188
4-aminobenzenesulfonamide;2-methylprop-2-enoic acid
CID 174803874
4-aminobenzenesulfonamide;fluoromethane
CID 159574204
CID 159358457
CID 159358457
sodium;4-aminobenzenesulfonamide;hydride
CID 173094657
4-aminobenzenesulfonamide;azanylidyneazanium
CID 21219865
4-aminobenzenesulfonamide;fluoroform
CID 121362415
4-sulfamoylbenzoyl iodide
CID 88945846
1-[4-[2-(4-aminophenyl)ethynyl]phenyl]ethanone
CID 11470363
1-(4-aminophenyl)ethanone;1-(4-nitrophenyl)ethanone
CID 174531319
4-aminobenzenesulfonamide;(2S)-2-amino-3-methylbutanoic acid
CID 66808736

Frequently Asked Questions

What is the IUPAC name of 4-acetylbenzenesulfonamide;4-aminobenzenesulfonamide?
The IUPAC name of 4-acetylbenzenesulfonamide;4-aminobenzenesulfonamide (CID 158952098) is 4-acetylbenzenesulfonamide;4-aminobenzenesulfonamide.
What is the SMILES notation for 4-acetylbenzenesulfonamide;4-aminobenzenesulfonamide?
The canonical SMILES for 4-acetylbenzenesulfonamide;4-aminobenzenesulfonamide is CC(=O)c1ccc(S(N)(=O)=O)cc1.Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-acetylbenzenesulfonamide;4-aminobenzenesulfonamide?
The InChIKey is JLOCWVVUHSUAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3S.C6H8N2O2S/c1-6(10)7-2-4-8(5-3-7)13(9,11)12;7-5-1-3-6(4-2-5)11(8,9)10/h2-5H,1H3,(H2,9,11,12);1-4H,7H2,(H2,8,9,10).
What are the key properties of 4-acetylbenzenesulfonamide;4-aminobenzenesulfonamide?
4-acetylbenzenesulfonamide;4-aminobenzenesulfonamide has a molecular weight of 371.44 g/mol, XLogP of 0.45, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetylbenzenesulfonamide;4-aminobenzenesulfonamide is sourced from PubChem (CID 158952098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).