N-ethyl-4-fluoro-3-morpholin-4-ylsulfonylbenzamide

C13H17FN2O4S — CID 27242336

IUPACN-ethyl-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
SMILESCCNC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C13H17FN2O4S/c1-2-15-13(17)10-3-4-11(14)12(9-10)21(18,19)16-5-7-20-8-6-16/h3-4,9H,2,5-8H2,1H3,(H,15,17)
InChIKeyVJFOUJJVUYFQGP-UHFFFAOYSA-N
MW316.35 g/mol
LogP0.60
Rot. Bonds4

About N-ethyl-4-fluoro-3-morpholin-4-ylsulfonylbenzamide

N-ethyl-4-fluoro-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 27242336) has the molecular formula C13H17FN2O4S and a molecular weight of 316.35 g/mol. Its IUPAC name is N-ethyl-4-fluoro-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-ethyl-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
PubChem CID27242336
Molecular FormulaC13H17FN2O4S
Molecular Weight316.35 g/mol
Exact Mass316.09
IUPAC NameN-ethyl-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
SMILESCCNC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C13H17FN2O4S/c1-2-15-13(17)10-3-4-11(14)12(9-10)21(18,19)16-5-7-20-8-6-16/h3-4,9H,2,5-8H2,1H3,(H,15,17)
InChIKeyVJFOUJJVUYFQGP-UHFFFAOYSA-N
XLogP0.60
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-fluoro-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-ethyl-4-fluoro-3-morpholin-4-ylsulfonylbenzamide (CID 27242336) is N-ethyl-4-fluoro-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-ethyl-4-fluoro-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-ethyl-4-fluoro-3-morpholin-4-ylsulfonylbenzamide is CCNC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-ethyl-4-fluoro-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is VJFOUJJVUYFQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O4S/c1-2-15-13(17)10-3-4-11(14)12(9-10)21(18,19)16-5-7-20-8-6-16/h3-4,9H,2,5-8H2,1H3,(H,15,17).
What are the key properties of N-ethyl-4-fluoro-3-morpholin-4-ylsulfonylbenzamide?
N-ethyl-4-fluoro-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 316.35 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-fluoro-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 27242336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).