ethyl 2-(2-methoxy-5-sulfamoylphenyl)-6-oxo-1H-pyrimidine-5-carboxylate

C14H15N3O6S — CID 127244382

IUPACethyl 2-(2-methoxy-5-sulfamoylphenyl)-6-oxo-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2cc(S(N)(=O)=O)ccc2OC)[nH]c1=O
InChIInChI=1S/C14H15N3O6S/c1-3-23-14(19)10-7-16-12(17-13(10)18)9-6-8(24(15,20)21)4-5-11(9)22-2/h4-7H,3H2,1-2H3,(H2,15,20,21)(H,16,17,18)
InChIKeyOMXSQPQHSYBNIG-UHFFFAOYSA-N
MW353.36 g/mol
LogP0.27
Rot. Bonds5

About ethyl 2-(2-methoxy-5-sulfamoylphenyl)-6-oxo-1H-pyrimidine-5-carboxylate

ethyl 2-(2-methoxy-5-sulfamoylphenyl)-6-oxo-1H-pyrimidine-5-carboxylate (PubChem CID 127244382) has the molecular formula C14H15N3O6S and a molecular weight of 353.36 g/mol. Its IUPAC name is ethyl 2-(2-methoxy-5-sulfamoylphenyl)-6-oxo-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-methoxy-5-sulfamoylphenyl)-6-oxo-1H-pyrimidine-5-carboxylate
PubChem CID127244382
Molecular FormulaC14H15N3O6S
Molecular Weight353.36 g/mol
Exact Mass353.07
IUPAC Nameethyl 2-(2-methoxy-5-sulfamoylphenyl)-6-oxo-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2cc(S(N)(=O)=O)ccc2OC)[nH]c1=O
InChIInChI=1S/C14H15N3O6S/c1-3-23-14(19)10-7-16-12(17-13(10)18)9-6-8(24(15,20)21)4-5-11(9)22-2/h4-7H,3H2,1-2H3,(H2,15,20,21)(H,16,17,18)
InChIKeyOMXSQPQHSYBNIG-UHFFFAOYSA-N
XLogP0.27
TPSA141.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-(2-ethoxy-5-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 12535820
ethyl 2-(2-bromophenyl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 62022472
ethyl 2-(3-hydroxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 107921729
ethyl 2-hydroxy-5-sulfamoylbenzoate
CID 21312229
ethyl 2-bromo-5-sulfamoylbenzoate
CID 43828339
2-methoxyethyl 2-methoxy-5-sulfamoylbenzoate
CID 27910852
ethyl 2-(3-methylimidazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 82903966
3-(5,7-dihydroxy-4-oxo-8-propyl-3H-quinazolin-2-yl)-4-ethoxybenzenesulfonamide
CID 137123444
ethyl 4-[(2-methoxy-5-sulfamoylbenzoyl)amino]benzoate
CID 4851180
ethyl 6-oxo-2-propyl-1H-pyrimidine-5-carboxylate
CID 12901694
3-(7-oxo-2,6-dihydrotriazolo[4,5-d]pyrimidin-5-yl)-4-propoxybenzenesulfonamide
CID 135507452
ethyl 2-(2-methoxy-5-methylphenyl)-4-oxo-3H-quinazoline-6-carboxylate
CID 135964784

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methoxy-5-sulfamoylphenyl)-6-oxo-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(2-methoxy-5-sulfamoylphenyl)-6-oxo-1H-pyrimidine-5-carboxylate (CID 127244382) is ethyl 2-(2-methoxy-5-sulfamoylphenyl)-6-oxo-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(2-methoxy-5-sulfamoylphenyl)-6-oxo-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(2-methoxy-5-sulfamoylphenyl)-6-oxo-1H-pyrimidine-5-carboxylate is CCOC(=O)c1cnc(-c2cc(S(N)(=O)=O)ccc2OC)[nH]c1=O.
What is the InChIKey of ethyl 2-(2-methoxy-5-sulfamoylphenyl)-6-oxo-1H-pyrimidine-5-carboxylate?
The InChIKey is OMXSQPQHSYBNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O6S/c1-3-23-14(19)10-7-16-12(17-13(10)18)9-6-8(24(15,20)21)4-5-11(9)22-2/h4-7H,3H2,1-2H3,(H2,15,20,21)(H,16,17,18).
What are the key properties of ethyl 2-(2-methoxy-5-sulfamoylphenyl)-6-oxo-1H-pyrimidine-5-carboxylate?
ethyl 2-(2-methoxy-5-sulfamoylphenyl)-6-oxo-1H-pyrimidine-5-carboxylate has a molecular weight of 353.36 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methoxy-5-sulfamoylphenyl)-6-oxo-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 127244382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).