4-amino-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide

C11H12N4O3S — CID 135408656

IUPAC4-amino-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide
SMILESCc1cc(=O)[nH]c(NS(=O)(=O)c2ccc(N)cc2)n1
InChIInChI=1S/C11H12N4O3S/c1-7-6-10(16)14-11(13-7)15-19(17,18)9-4-2-8(12)3-5-9/h2-6H,12H2,1H3,(H2,13,14,15,16)
InChIKeyDYFIKPYMDZVONX-UHFFFAOYSA-N
MW280.31 g/mol
LogP0.46
Rot. Bonds3

About 4-amino-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide

4-amino-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide (PubChem CID 135408656) has the molecular formula C11H12N4O3S and a molecular weight of 280.31 g/mol. Its IUPAC name is 4-amino-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide
PubChem CID135408656
Molecular FormulaC11H12N4O3S
Molecular Weight280.31 g/mol
Exact Mass280.06
IUPAC Name4-amino-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide
SMILESCc1cc(=O)[nH]c(NS(=O)(=O)c2ccc(N)cc2)n1
InChIInChI=1S/C11H12N4O3S/c1-7-6-10(16)14-11(13-7)15-19(17,18)9-4-2-8(12)3-5-9/h2-6H,12H2,1H3,(H2,13,14,15,16)
InChIKeyDYFIKPYMDZVONX-UHFFFAOYSA-N
XLogP0.46
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide (CID 135408656) is 4-amino-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide is Cc1cc(=O)[nH]c(NS(=O)(=O)c2ccc(N)cc2)n1.
What is the InChIKey of 4-amino-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide?
The InChIKey is DYFIKPYMDZVONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S/c1-7-6-10(16)14-11(13-7)15-19(17,18)9-4-2-8(12)3-5-9/h2-6H,12H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-amino-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide?
4-amino-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide has a molecular weight of 280.31 g/mol, XLogP of 0.46, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 135408656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).