2-fluoro-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]benzamide

C14H19FN2O4S — CID 110345598

IUPAC2-fluoro-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]benzamide
SMILESCC1COCCN1S(=O)(=O)CCNC(=O)c1ccccc1F
InChIInChI=1S/C14H19FN2O4S/c1-11-10-21-8-7-17(11)22(19,20)9-6-16-14(18)12-4-2-3-5-13(12)15/h2-5,11H,6-10H2,1H3,(H,16,18)
InChIKeyPBFMDQTWQVQDRR-UHFFFAOYSA-N
MW330.38 g/mol
LogP0.61
Rot. Bonds5

About 2-fluoro-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]benzamide

2-fluoro-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]benzamide (PubChem CID 110345598) has the molecular formula C14H19FN2O4S and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-fluoro-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]benzamide
PubChem CID110345598
Molecular FormulaC14H19FN2O4S
Molecular Weight330.38 g/mol
Exact Mass330.10
IUPAC Name2-fluoro-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]benzamide
SMILESCC1COCCN1S(=O)(=O)CCNC(=O)c1ccccc1F
InChIInChI=1S/C14H19FN2O4S/c1-11-10-21-8-7-17(11)22(19,20)9-6-16-14(18)12-4-2-3-5-13(12)15/h2-5,11H,6-10H2,1H3,(H,16,18)
InChIKeyPBFMDQTWQVQDRR-UHFFFAOYSA-N
XLogP0.61
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-2-phenylacetamide
CID 110345614
N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-4-(trifluoromethyl)benzamide
CID 110345641
N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-2-thiophen-2-ylacetamide
CID 110345613
2-fluoro-N-(2-thiomorpholin-4-ylsulfonylethyl)benzamide
CID 56782902
1-(4-chlorophenyl)-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]methanesulfonamide
CID 110345689
4-fluoro-2-methyl-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide
CID 110345672
2-fluoro-N-[3-oxo-3-(3-propylmorpholin-4-yl)propyl]benzamide
CID 46983091
1-(2-fluorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-one
CID 62619030
5-ethyl-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]thiophene-2-sulfonamide
CID 110345679
N-[2-(2-methylpiperidin-1-yl)sulfonylethyl]benzamide
CID 18582812
2-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79550785
N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]butane-1-sulfonamide
CID 110345658

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]benzamide (CID 110345598) is 2-fluoro-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]benzamide is CC1COCCN1S(=O)(=O)CCNC(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]benzamide?
The InChIKey is PBFMDQTWQVQDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O4S/c1-11-10-21-8-7-17(11)22(19,20)9-6-16-14(18)12-4-2-3-5-13(12)15/h2-5,11H,6-10H2,1H3,(H,16,18).
What are the key properties of 2-fluoro-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]benzamide?
2-fluoro-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]benzamide has a molecular weight of 330.38 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]benzamide is sourced from PubChem (CID 110345598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).