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Sulfacytine

C12H14N4O3S — CID 5322

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Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-amino-N-(1-ethyl-2-oxopyrimidin-4-yl)benzenesulfonamide
SMILESCCn1ccc(NS(=O)(=O)c2ccc(N)cc2)nc1=O
InChIInChI=1S/C12H14N4O3S/c1-2-16-8-7-11(14-12(16)17)15-20(18,19)10-5-3-9(13)4-6-10/h3-8H,2,13H2,1H3,(H,14,15,17)
InChIKeySIBQAECNSSQUOD-UHFFFAOYSA-N
MW294.34 g/mol
LogP0.65
Rot. Bonds4

About Sulfacytine

Sulfacytine (PubChem CID 5322) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is 4-amino-N-(1-ethyl-2-oxopyrimidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameSulfacytine
PubChem CID5322
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Name4-amino-N-(1-ethyl-2-oxopyrimidin-4-yl)benzenesulfonamide
SMILESCCn1ccc(NS(=O)(=O)c2ccc(N)cc2)nc1=O
InChIInChI=1S/C12H14N4O3S/c1-2-16-8-7-11(14-12(16)17)15-20(18,19)10-5-3-9(13)4-6-10/h3-8H,2,13H2,1H3,(H,14,15,17)
InChIKeySIBQAECNSSQUOD-UHFFFAOYSA-N
XLogP0.65
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Carbutamide
CID 9564
4-amino-N-(3,4-dihydro-2H-pyrrol-5-yl)benzene-1-sulfonamide
CID 729446
1-(4-Aminophenyl)sulfonyl-4,6-dimethylpyrimidin-2-one
CID 786691
N'-(4-sulfamoylphenyl)ethanimidamide;hydrobromide
CID 45261186
(NZ)-4-amino-N-(1,4,6-trimethylpyrimidin-2-ylidene)benzenesulfonamide
CID 15607280
4-amino-N-[1-(ethoxymethyl)-2-oxo-pyrimidin-4-yl]benzenesulfonamide
CID 122196534
N,N-diethyl-4-[(1-methyl-2-pyridinylidene)amino]benzenesulfonamide
CID 2573371
Nosyl cytosine
CID 68730723

Frequently Asked Questions

What is the IUPAC name of Sulfacytine?
The IUPAC name of Sulfacytine (CID 5322) is 4-amino-N-(1-ethyl-2-oxopyrimidin-4-yl)benzenesulfonamide.
What is the SMILES notation for Sulfacytine?
The canonical SMILES for Sulfacytine is CCn1ccc(NS(=O)(=O)c2ccc(N)cc2)nc1=O.
What is the InChIKey of Sulfacytine?
The InChIKey is SIBQAECNSSQUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-2-16-8-7-11(14-12(16)17)15-20(18,19)10-5-3-9(13)4-6-10/h3-8H,2,13H2,1H3,(H,14,15,17).
What are the key properties of Sulfacytine?
Sulfacytine has a molecular weight of 294.34 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Sulfacytine is sourced from PubChem (CID 5322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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