1-(2-hydroxyphenyl)sulfonyl-3-(4-methoxy-6-methylpyrimidin-2-yl)urea

C13H14N4O5S — CID 14774716

IUPAC1-(2-hydroxyphenyl)sulfonyl-3-(4-methoxy-6-methylpyrimidin-2-yl)urea
SMILESCOc1cc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2O)n1
InChIInChI=1S/C13H14N4O5S/c1-8-7-11(22-2)15-12(14-8)16-13(19)17-23(20,21)10-6-4-3-5-9(10)18/h3-7,18H,1-2H3,(H2,14,15,16,17,19)
InChIKeyHBQMQJRJESEJQR-UHFFFAOYSA-N
MW338.35 g/mol
LogP1.01
Rot. Bonds4

About 1-(2-hydroxyphenyl)sulfonyl-3-(4-methoxy-6-methylpyrimidin-2-yl)urea

1-(2-hydroxyphenyl)sulfonyl-3-(4-methoxy-6-methylpyrimidin-2-yl)urea (PubChem CID 14774716) has the molecular formula C13H14N4O5S and a molecular weight of 338.35 g/mol. Its IUPAC name is 1-(2-hydroxyphenyl)sulfonyl-3-(4-methoxy-6-methylpyrimidin-2-yl)urea.

Molecular Properties

Compound Name1-(2-hydroxyphenyl)sulfonyl-3-(4-methoxy-6-methylpyrimidin-2-yl)urea
PubChem CID14774716
Molecular FormulaC13H14N4O5S
Molecular Weight338.35 g/mol
Exact Mass338.07
IUPAC Name1-(2-hydroxyphenyl)sulfonyl-3-(4-methoxy-6-methylpyrimidin-2-yl)urea
SMILESCOc1cc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2O)n1
InChIInChI=1S/C13H14N4O5S/c1-8-7-11(22-2)15-12(14-8)16-13(19)17-23(20,21)10-6-4-3-5-9(10)18/h3-7,18H,1-2H3,(H2,14,15,16,17,19)
InChIKeyHBQMQJRJESEJQR-UHFFFAOYSA-N
XLogP1.01
TPSA130.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-(dichloromethyl)phenyl]sulfonyl-3-(4-methoxy-6-methylpyrimidin-2-yl)urea
CID 13364616
1-(4-methoxy-6-methylpyrimidin-2-yl)-3-(2-pyrazol-1-ylphenyl)sulfonylurea
CID 13489833
1-(4-methoxy-6-methylpyrimidin-2-yl)-3-[2-(1,2-oxazol-5-yl)phenyl]sulfonylurea
CID 13489830
1-(4-methoxy-6-methylpyrimidin-2-yl)-3-(2-prop-2-ynoxyphenyl)sulfonylurea
CID 13472956
1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethylsulfonylphenyl)sulfonylurea
CID 154343693
1-(4-methoxy-6-methylpyrimidin-2-yl)-3-(2H-thiochromen-8-ylsulfonyl)urea
CID 70449885
1-[[2-(2-fluoro-1-hydroxyethyl)-3-pyridinyl]sulfonyl]-3-(4-methoxy-6-methylpyrimidin-2-yl)urea
CID 19377379
1-[2-(2,2-difluoro-1-hydroxyethyl)phenyl]sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea
CID 18934189
1-(5-chloro-2-hydroxyphenyl)sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea;methanesulfonic acid
CID 88686342
1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-thiophen-2-ylphenyl)sulfonylurea
CID 13366185
1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(methylsulfanylmethyl)phenyl]sulfonylurea
CID 13057427
1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(2-fluoro-1-hydroxyethyl)phenyl]sulfonylurea
CID 18934187

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyphenyl)sulfonyl-3-(4-methoxy-6-methylpyrimidin-2-yl)urea?
The IUPAC name of 1-(2-hydroxyphenyl)sulfonyl-3-(4-methoxy-6-methylpyrimidin-2-yl)urea (CID 14774716) is 1-(2-hydroxyphenyl)sulfonyl-3-(4-methoxy-6-methylpyrimidin-2-yl)urea.
What is the SMILES notation for 1-(2-hydroxyphenyl)sulfonyl-3-(4-methoxy-6-methylpyrimidin-2-yl)urea?
The canonical SMILES for 1-(2-hydroxyphenyl)sulfonyl-3-(4-methoxy-6-methylpyrimidin-2-yl)urea is COc1cc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2O)n1.
What is the InChIKey of 1-(2-hydroxyphenyl)sulfonyl-3-(4-methoxy-6-methylpyrimidin-2-yl)urea?
The InChIKey is HBQMQJRJESEJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O5S/c1-8-7-11(22-2)15-12(14-8)16-13(19)17-23(20,21)10-6-4-3-5-9(10)18/h3-7,18H,1-2H3,(H2,14,15,16,17,19).
What are the key properties of 1-(2-hydroxyphenyl)sulfonyl-3-(4-methoxy-6-methylpyrimidin-2-yl)urea?
1-(2-hydroxyphenyl)sulfonyl-3-(4-methoxy-6-methylpyrimidin-2-yl)urea has a molecular weight of 338.35 g/mol, XLogP of 1.01, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyphenyl)sulfonyl-3-(4-methoxy-6-methylpyrimidin-2-yl)urea is sourced from PubChem (CID 14774716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).