3-fluoro-N-methyl-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]benzenesulfonamide

C14H17FN4O4S — CID 154752292

IUPAC3-fluoro-N-methyl-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CCOC(c3noc(C)n3)C2)c(F)c1
InChIInChI=1S/C14H17FN4O4S/c1-9-17-14(18-23-9)13-8-19(5-6-22-13)12-4-3-10(7-11(12)15)24(20,21)16-2/h3-4,7,13,16H,5-6,8H2,1-2H3
InChIKeyMBXOCTGFASILNT-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.00
Rot. Bonds4

About 3-fluoro-N-methyl-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]benzenesulfonamide

3-fluoro-N-methyl-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]benzenesulfonamide (PubChem CID 154752292) has the molecular formula C14H17FN4O4S and a molecular weight of 356.38 g/mol. Its IUPAC name is 3-fluoro-N-methyl-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-methyl-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]benzenesulfonamide
PubChem CID154752292
Molecular FormulaC14H17FN4O4S
Molecular Weight356.38 g/mol
Exact Mass356.10
IUPAC Name3-fluoro-N-methyl-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CCOC(c3noc(C)n3)C2)c(F)c1
InChIInChI=1S/C14H17FN4O4S/c1-9-17-14(18-23-9)13-8-19(5-6-22-13)12-4-3-10(7-11(12)15)24(20,21)16-2/h3-4,7,13,16H,5-6,8H2,1-2H3
InChIKeyMBXOCTGFASILNT-UHFFFAOYSA-N
XLogP1.00
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-methyl-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]benzenesulfonamide (CID 154752292) is 3-fluoro-N-methyl-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-methyl-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-methyl-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]benzenesulfonamide is CNS(=O)(=O)c1ccc(N2CCOC(c3noc(C)n3)C2)c(F)c1.
What is the InChIKey of 3-fluoro-N-methyl-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]benzenesulfonamide?
The InChIKey is MBXOCTGFASILNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O4S/c1-9-17-14(18-23-9)13-8-19(5-6-22-13)12-4-3-10(7-11(12)15)24(20,21)16-2/h3-4,7,13,16H,5-6,8H2,1-2H3.
What are the key properties of 3-fluoro-N-methyl-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]benzenesulfonamide?
3-fluoro-N-methyl-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]benzenesulfonamide has a molecular weight of 356.38 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]benzenesulfonamide is sourced from PubChem (CID 154752292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).