4-[2-(hydroxymethyl)morpholin-4-yl]sulfonyl-N-methylbenzamide

C13H18N2O5S — CID 81209377

IUPAC4-[2-(hydroxymethyl)morpholin-4-yl]sulfonyl-N-methylbenzamide
SMILESCNC(=O)c1ccc(S(=O)(=O)N2CCOC(CO)C2)cc1
InChIInChI=1S/C13H18N2O5S/c1-14-13(17)10-2-4-12(5-3-10)21(18,19)15-6-7-20-11(8-15)9-16/h2-5,11,16H,6-9H2,1H3,(H,14,17)
InChIKeyZWLASAGTACVHKM-UHFFFAOYSA-N
MW314.36 g/mol
LogP-0.57
Rot. Bonds4

About 4-[2-(hydroxymethyl)morpholin-4-yl]sulfonyl-N-methylbenzamide

4-[2-(hydroxymethyl)morpholin-4-yl]sulfonyl-N-methylbenzamide (PubChem CID 81209377) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is 4-[2-(hydroxymethyl)morpholin-4-yl]sulfonyl-N-methylbenzamide.

Molecular Properties

Compound Name4-[2-(hydroxymethyl)morpholin-4-yl]sulfonyl-N-methylbenzamide
PubChem CID81209377
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC Name4-[2-(hydroxymethyl)morpholin-4-yl]sulfonyl-N-methylbenzamide
SMILESCNC(=O)c1ccc(S(=O)(=O)N2CCOC(CO)C2)cc1
InChIInChI=1S/C13H18N2O5S/c1-14-13(17)10-2-4-12(5-3-10)21(18,19)15-6-7-20-11(8-15)9-16/h2-5,11,16H,6-9H2,1H3,(H,14,17)
InChIKeyZWLASAGTACVHKM-UHFFFAOYSA-N
XLogP-0.57
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-N-methylbenzamide
CID 60958439
[4-(4-amino-3-methylphenyl)sulfonylmorpholin-2-yl]methanol
CID 81205844
N-[4-[2-(chloromethyl)morpholin-4-yl]sulfonylphenyl]acetamide
CID 81214143
[4-(4-methyl-3-nitrophenyl)sulfonylmorpholin-2-yl]methanol
CID 81208390
3-[4-(2-ethylmorpholin-4-yl)sulfonylphenyl]prop-2-yn-1-ol
CID 60845292
4-(2-methylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide
CID 110343753
methyl 2-[4-(benzenesulfonyl)morpholin-2-yl]acetate
CID 79771144
N-butyl-4-(2-methylmorpholin-4-yl)sulfonylbenzamide
CID 110343756
4-(2-methylmorpholin-4-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 51294950
4-(2-methylmorpholin-4-yl)sulfonylbenzoic acid
CID 18072868
4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-N-methylbenzamide
CID 43066002
4-(2-methylmorpholin-4-yl)sulfonyl-N-pentylbenzamide
CID 110343792

Frequently Asked Questions

What is the IUPAC name of 4-[2-(hydroxymethyl)morpholin-4-yl]sulfonyl-N-methylbenzamide?
The IUPAC name of 4-[2-(hydroxymethyl)morpholin-4-yl]sulfonyl-N-methylbenzamide (CID 81209377) is 4-[2-(hydroxymethyl)morpholin-4-yl]sulfonyl-N-methylbenzamide.
What is the SMILES notation for 4-[2-(hydroxymethyl)morpholin-4-yl]sulfonyl-N-methylbenzamide?
The canonical SMILES for 4-[2-(hydroxymethyl)morpholin-4-yl]sulfonyl-N-methylbenzamide is CNC(=O)c1ccc(S(=O)(=O)N2CCOC(CO)C2)cc1.
What is the InChIKey of 4-[2-(hydroxymethyl)morpholin-4-yl]sulfonyl-N-methylbenzamide?
The InChIKey is ZWLASAGTACVHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S/c1-14-13(17)10-2-4-12(5-3-10)21(18,19)15-6-7-20-11(8-15)9-16/h2-5,11,16H,6-9H2,1H3,(H,14,17).
What are the key properties of 4-[2-(hydroxymethyl)morpholin-4-yl]sulfonyl-N-methylbenzamide?
4-[2-(hydroxymethyl)morpholin-4-yl]sulfonyl-N-methylbenzamide has a molecular weight of 314.36 g/mol, XLogP of -0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(hydroxymethyl)morpholin-4-yl]sulfonyl-N-methylbenzamide is sourced from PubChem (CID 81209377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).