4-(2-hydroxy-6-methoxyphenyl)sulfonyl-N-methylmorpholine-2-carboxamide

C13H18N2O6S — CID 138013474

IUPAC4-(2-hydroxy-6-methoxyphenyl)sulfonyl-N-methylmorpholine-2-carboxamide
SMILESCNC(=O)C1CN(S(=O)(=O)c2c(O)cccc2OC)CCO1
InChIInChI=1S/C13H18N2O6S/c1-14-13(17)11-8-15(6-7-21-11)22(18,19)12-9(16)4-3-5-10(12)20-2/h3-5,11,16H,6-8H2,1-2H3,(H,14,17)
InChIKeyNXKRCOKPMRVWRJ-UHFFFAOYSA-N
MW330.36 g/mol
LogP-0.46
Rot. Bonds4

About 4-(2-hydroxy-6-methoxyphenyl)sulfonyl-N-methylmorpholine-2-carboxamide

4-(2-hydroxy-6-methoxyphenyl)sulfonyl-N-methylmorpholine-2-carboxamide (PubChem CID 138013474) has the molecular formula C13H18N2O6S and a molecular weight of 330.36 g/mol. Its IUPAC name is 4-(2-hydroxy-6-methoxyphenyl)sulfonyl-N-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name4-(2-hydroxy-6-methoxyphenyl)sulfonyl-N-methylmorpholine-2-carboxamide
PubChem CID138013474
Molecular FormulaC13H18N2O6S
Molecular Weight330.36 g/mol
Exact Mass330.09
IUPAC Name4-(2-hydroxy-6-methoxyphenyl)sulfonyl-N-methylmorpholine-2-carboxamide
SMILESCNC(=O)C1CN(S(=O)(=O)c2c(O)cccc2OC)CCO1
InChIInChI=1S/C13H18N2O6S/c1-14-13(17)11-8-15(6-7-21-11)22(18,19)12-9(16)4-3-5-10(12)20-2/h3-5,11,16H,6-8H2,1-2H3,(H,14,17)
InChIKeyNXKRCOKPMRVWRJ-UHFFFAOYSA-N
XLogP-0.46
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-6-methoxyphenyl)sulfonyl-N-methylmorpholine-2-carboxamide?
The IUPAC name of 4-(2-hydroxy-6-methoxyphenyl)sulfonyl-N-methylmorpholine-2-carboxamide (CID 138013474) is 4-(2-hydroxy-6-methoxyphenyl)sulfonyl-N-methylmorpholine-2-carboxamide.
What is the SMILES notation for 4-(2-hydroxy-6-methoxyphenyl)sulfonyl-N-methylmorpholine-2-carboxamide?
The canonical SMILES for 4-(2-hydroxy-6-methoxyphenyl)sulfonyl-N-methylmorpholine-2-carboxamide is CNC(=O)C1CN(S(=O)(=O)c2c(O)cccc2OC)CCO1.
What is the InChIKey of 4-(2-hydroxy-6-methoxyphenyl)sulfonyl-N-methylmorpholine-2-carboxamide?
The InChIKey is NXKRCOKPMRVWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O6S/c1-14-13(17)11-8-15(6-7-21-11)22(18,19)12-9(16)4-3-5-10(12)20-2/h3-5,11,16H,6-8H2,1-2H3,(H,14,17).
What are the key properties of 4-(2-hydroxy-6-methoxyphenyl)sulfonyl-N-methylmorpholine-2-carboxamide?
4-(2-hydroxy-6-methoxyphenyl)sulfonyl-N-methylmorpholine-2-carboxamide has a molecular weight of 330.36 g/mol, XLogP of -0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-6-methoxyphenyl)sulfonyl-N-methylmorpholine-2-carboxamide is sourced from PubChem (CID 138013474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).