acetamide;4-aminobenzenesulfonamide

C8H13N3O3S — CID 175093651

IUPACacetamide;4-aminobenzenesulfonamide
SMILESCC(N)=O.Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C6H8N2O2S.C2H5NO/c7-5-1-3-6(4-2-5)11(8,9)10;1-2(3)4/h1-4H,7H2,(H2,8,9,10);1H3,(H2,3,4)
InChIKeyDJVGOZWVRHZXQR-UHFFFAOYSA-N
MW231.28 g/mol
LogP-0.59
Rot. Bonds1

About acetamide;4-aminobenzenesulfonamide

acetamide;4-aminobenzenesulfonamide (PubChem CID 175093651) has the molecular formula C8H13N3O3S and a molecular weight of 231.28 g/mol. Its IUPAC name is acetamide;4-aminobenzenesulfonamide.

Molecular Properties

Compound Nameacetamide;4-aminobenzenesulfonamide
PubChem CID175093651
Molecular FormulaC8H13N3O3S
Molecular Weight231.28 g/mol
Exact Mass231.07
IUPAC Nameacetamide;4-aminobenzenesulfonamide
SMILESCC(N)=O.Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C6H8N2O2S.C2H5NO/c7-5-1-3-6(4-2-5)11(8,9)10;1-2(3)4/h1-4H,7H2,(H2,8,9,10);1H3,(H2,3,4)
InChIKeyDJVGOZWVRHZXQR-UHFFFAOYSA-N
XLogP-0.59
TPSA129.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-acetylbenzenesulfonamide;4-aminobenzenesulfonamide
CID 158952098
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-aminobenzenesulfonamide;2-(4-sulfamoylphenyl)guanidine
CID 69140999
4-aminobenzenesulfonamide;(2S)-2-amino-3-methylbutanoic acid
CID 66808736
4-aminobenzenesulfonamide;3-methylbenzene-1,2-diol
CID 174437033
4-aminobenzenesulfonamide;5-methylpyrimidine
CID 174451060
aminourea;4-methylbenzenesulfonamide
CID 174801132

Frequently Asked Questions

What is the IUPAC name of acetamide;4-aminobenzenesulfonamide?
The IUPAC name of acetamide;4-aminobenzenesulfonamide (CID 175093651) is acetamide;4-aminobenzenesulfonamide.
What is the SMILES notation for acetamide;4-aminobenzenesulfonamide?
The canonical SMILES for acetamide;4-aminobenzenesulfonamide is CC(N)=O.Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of acetamide;4-aminobenzenesulfonamide?
The InChIKey is DJVGOZWVRHZXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S.C2H5NO/c7-5-1-3-6(4-2-5)11(8,9)10;1-2(3)4/h1-4H,7H2,(H2,8,9,10);1H3,(H2,3,4).
What are the key properties of acetamide;4-aminobenzenesulfonamide?
acetamide;4-aminobenzenesulfonamide has a molecular weight of 231.28 g/mol, XLogP of -0.59, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;4-aminobenzenesulfonamide is sourced from PubChem (CID 175093651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).