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Sulfametomidine

C12H14N4O3S — CID 19596

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

IUPAC4-amino-N-(6-methoxy-2-methylpyrimidin-4-yl)benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(C)n1
InChIInChI=1S/C12H14N4O3S/c1-8-14-11(7-12(15-8)19-2)16-20(17,18)10-5-3-9(13)4-6-10/h3-7H,13H2,1-2H3,(H,14,15,16)
InChIKeyQKLSCPPJEVXONT-UHFFFAOYSA-N
MW294.34 g/mol
LogP1.18
Rot. Bonds4

About Sulfametomidine

Sulfametomidine (PubChem CID 19596) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is 4-amino-N-(6-methoxy-2-methylpyrimidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameSulfametomidine
PubChem CID19596
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Name4-amino-N-(6-methoxy-2-methylpyrimidin-4-yl)benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(C)n1
InChIInChI=1S/C12H14N4O3S/c1-8-14-11(7-12(15-8)19-2)16-20(17,18)10-5-3-9(13)4-6-10/h3-7H,13H2,1-2H3,(H,14,15,16)
InChIKeyQKLSCPPJEVXONT-UHFFFAOYSA-N
XLogP1.18
TPSA107.20 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 ≤ 51.18
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

Sulfadimethoxine
CID 5323
Sulfadoxine
CID 17134
Sulfamonomethoxine
CID 5332
Sulfisomidine
CID 5343
4-{[4-Amino-6-(cyclohexylmethoxy)pyrimidin-2-yl]amino}benzene-1-sulfonamide
CID 5329599
N-Allyl-N-(4-methoxy-6-methyl-pyrimidin-2-yl)-benzenesulfonamide
CID 742828
N-(4-methoxy-6-methylpyrimidin-2-yl)-N-propylbenzenesulfonamide
CID 3245110
N-[4-(2,6-Dimethoxy-pyrimidin-4-ylsulfamoyl)-phenyl]-succinamic acid
CID 3122824

Frequently Asked Questions

What is the IUPAC name of Sulfametomidine?
The IUPAC name of Sulfametomidine (CID 19596) is 4-amino-N-(6-methoxy-2-methylpyrimidin-4-yl)benzenesulfonamide.
What is the SMILES notation for Sulfametomidine?
The canonical SMILES for Sulfametomidine is COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(C)n1.
What is the InChIKey of Sulfametomidine?
The InChIKey is QKLSCPPJEVXONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-8-14-11(7-12(15-8)19-2)16-20(17,18)10-5-3-9(13)4-6-10/h3-7H,13H2,1-2H3,(H,14,15,16).
What are the key properties of Sulfametomidine?
Sulfametomidine has a molecular weight of 294.34 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Sulfametomidine is sourced from PubChem (CID 19596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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