4-amino-N-(1-ethyl-2-oxopyrimidin-4-yl)benzenesulfonamide

C12H14N4O3S — CID 5322

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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 4-amino-N-(1-ethyl-2-oxopyrimidin-4-yl)benzenesulfonamide

4-amino-N-(1-ethyl-2-oxopyrimidin-4-yl)benzenesulfonamide (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 Name4-amino-N-(1-ethyl-2-oxopyrimidin-4-yl)benzenesulfonamide
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-methyl-2-pyridinylidene)benzenesulfonamide
CID 44360361
(NZ)-4-amino-N-(1,4,6-trimethylpyrimidin-2-ylidene)benzenesulfonamide
CID 15607280
(NZ)-4-amino-N-(1-methylpyrimidin-2-ylidene)benzenesulfonamide
CID 44360416
4-amino-N-(2-oxo-1,2-dihydro-4-pyrimidinyl)benzenesulfonamide
CID 21782726
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
N-Sulfanilyl-N-Butylharnstoff
CID 21659211
Nosyl cytosine
CID 68730723

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-ethyl-2-oxopyrimidin-4-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(1-ethyl-2-oxopyrimidin-4-yl)benzenesulfonamide (CID 5322) is 4-amino-N-(1-ethyl-2-oxopyrimidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(1-ethyl-2-oxopyrimidin-4-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(1-ethyl-2-oxopyrimidin-4-yl)benzenesulfonamide is CCn1ccc(NS(=O)(=O)c2ccc(N)cc2)nc1=O.
What is the InChIKey of 4-amino-N-(1-ethyl-2-oxopyrimidin-4-yl)benzenesulfonamide?
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 4-amino-N-(1-ethyl-2-oxopyrimidin-4-yl)benzenesulfonamide?
4-amino-N-(1-ethyl-2-oxopyrimidin-4-yl)benzenesulfonamide 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 4-amino-N-(1-ethyl-2-oxopyrimidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 5322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).