N-(3-fluorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide

C13H17FN2O4S — CID 894067

IUPACN-(3-fluorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCOCC1)c1cccc(F)c1
InChIInChI=1S/C13H17FN2O4S/c1-21(18,19)16(12-4-2-3-11(14)9-12)10-13(17)15-5-7-20-8-6-15/h2-4,9H,5-8,10H2,1H3
InChIKeyWJRUZZJXGQLTQV-UHFFFAOYSA-N
MW316.35 g/mol
LogP0.45
Rot. Bonds4

About N-(3-fluorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide

N-(3-fluorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide (PubChem CID 894067) has the molecular formula C13H17FN2O4S and a molecular weight of 316.35 g/mol. Its IUPAC name is N-(3-fluorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
PubChem CID894067
Molecular FormulaC13H17FN2O4S
Molecular Weight316.35 g/mol
Exact Mass316.09
IUPAC NameN-(3-fluorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCOCC1)c1cccc(F)c1
InChIInChI=1S/C13H17FN2O4S/c1-21(18,19)16(12-4-2-3-11(14)9-12)10-13(17)15-5-7-20-8-6-15/h2-4,9H,5-8,10H2,1H3
InChIKeyWJRUZZJXGQLTQV-UHFFFAOYSA-N
XLogP0.45
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide?
The IUPAC name of N-(3-fluorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide (CID 894067) is N-(3-fluorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide.
What is the SMILES notation for N-(3-fluorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide?
The canonical SMILES for N-(3-fluorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide is CS(=O)(=O)N(CC(=O)N1CCOCC1)c1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide?
The InChIKey is WJRUZZJXGQLTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O4S/c1-21(18,19)16(12-4-2-3-11(14)9-12)10-13(17)15-5-7-20-8-6-15/h2-4,9H,5-8,10H2,1H3.
What are the key properties of N-(3-fluorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide?
N-(3-fluorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide has a molecular weight of 316.35 g/mol, XLogP of 0.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide is sourced from PubChem (CID 894067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).