4-(2-hydroxyphenyl)sulfonyl-N-methylmorpholine-3-carboxamide

C12H16N2O5S — CID 83103393

IUPAC4-(2-hydroxyphenyl)sulfonyl-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1S(=O)(=O)c1ccccc1O
InChIInChI=1S/C12H16N2O5S/c1-13-12(16)9-8-19-7-6-14(9)20(17,18)11-5-3-2-4-10(11)15/h2-5,9,15H,6-8H2,1H3,(H,13,16)
InChIKeyYCXVMCNAAAATLZ-UHFFFAOYSA-N
MW300.34 g/mol
LogP-0.47
Rot. Bonds3

About 4-(2-hydroxyphenyl)sulfonyl-N-methylmorpholine-3-carboxamide

4-(2-hydroxyphenyl)sulfonyl-N-methylmorpholine-3-carboxamide (PubChem CID 83103393) has the molecular formula C12H16N2O5S and a molecular weight of 300.34 g/mol. Its IUPAC name is 4-(2-hydroxyphenyl)sulfonyl-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(2-hydroxyphenyl)sulfonyl-N-methylmorpholine-3-carboxamide
PubChem CID83103393
Molecular FormulaC12H16N2O5S
Molecular Weight300.34 g/mol
Exact Mass300.08
IUPAC Name4-(2-hydroxyphenyl)sulfonyl-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1S(=O)(=O)c1ccccc1O
InChIInChI=1S/C12H16N2O5S/c1-13-12(16)9-8-19-7-6-14(9)20(17,18)11-5-3-2-4-10(11)15/h2-5,9,15H,6-8H2,1H3,(H,13,16)
InChIKeyYCXVMCNAAAATLZ-UHFFFAOYSA-N
XLogP-0.47
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-amino-6-methylphenyl)sulfonyl-N-methylmorpholine-3-carboxamide
CID 83096974
4-[(2-aminophenyl)methylsulfonyl]-N-methylmorpholine-3-carboxamide
CID 83096817
4-[(6-cyano-3-pyridinyl)sulfonyl]-N-methylmorpholine-3-carboxamide
CID 114613914
4-[(2-amino-3-pyridinyl)sulfonyl]-N-ethylmorpholine-3-carboxamide
CID 83096793
3-[3-(methylcarbamoyl)morpholin-4-yl]sulfonylpropanoic acid
CID 83106311
2-morpholin-4-ylsulfonylphenol
CID 79020270
4-(2-amino-3-fluorophenyl)sulfonylmorpholine-3-carboxamide
CID 83094650
N-methyl-1-[2-(1,2-oxazol-5-yl)phenyl]sulfonylpyrrolidine-2-carboxamide
CID 127805909
methyl 4-(5-bromo-2-methylphenyl)sulfonylmorpholine-3-carboxylate
CID 115672139
4-[2-(ethylamino)benzoyl]-N-methylmorpholine-3-carboxamide
CID 83104137
[4-(2-ethylphenyl)sulfonylmorpholin-3-yl]methanol
CID 126831492
4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-N-propylmorpholine-3-carboxamide
CID 83096979

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyphenyl)sulfonyl-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-(2-hydroxyphenyl)sulfonyl-N-methylmorpholine-3-carboxamide (CID 83103393) is 4-(2-hydroxyphenyl)sulfonyl-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(2-hydroxyphenyl)sulfonyl-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-(2-hydroxyphenyl)sulfonyl-N-methylmorpholine-3-carboxamide is CNC(=O)C1COCCN1S(=O)(=O)c1ccccc1O.
What is the InChIKey of 4-(2-hydroxyphenyl)sulfonyl-N-methylmorpholine-3-carboxamide?
The InChIKey is YCXVMCNAAAATLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5S/c1-13-12(16)9-8-19-7-6-14(9)20(17,18)11-5-3-2-4-10(11)15/h2-5,9,15H,6-8H2,1H3,(H,13,16).
What are the key properties of 4-(2-hydroxyphenyl)sulfonyl-N-methylmorpholine-3-carboxamide?
4-(2-hydroxyphenyl)sulfonyl-N-methylmorpholine-3-carboxamide has a molecular weight of 300.34 g/mol, XLogP of -0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyphenyl)sulfonyl-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 83103393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).