N-ethyl-4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide

C14H19FN2O4S — CID 2989778

IUPACN-ethyl-4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
SMILESCCN(CC(=O)N1CCOCC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H19FN2O4S/c1-2-17(11-14(18)16-7-9-21-10-8-16)22(19,20)13-5-3-12(15)4-6-13/h3-6H,2,7-11H2,1H3
InChIKeyNQWXZUPMRWUNAR-UHFFFAOYSA-N
MW330.38 g/mol
LogP0.70
Rot. Bonds5

About N-ethyl-4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide

N-ethyl-4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide (PubChem CID 2989778) has the molecular formula C14H19FN2O4S and a molecular weight of 330.38 g/mol. Its IUPAC name is N-ethyl-4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
PubChem CID2989778
Molecular FormulaC14H19FN2O4S
Molecular Weight330.38 g/mol
Exact Mass330.10
IUPAC NameN-ethyl-4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
SMILESCCN(CC(=O)N1CCOCC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H19FN2O4S/c1-2-17(11-14(18)16-7-9-21-10-8-16)22(19,20)13-5-3-12(15)4-6-13/h3-6H,2,7-11H2,1H3
InChIKeyNQWXZUPMRWUNAR-UHFFFAOYSA-N
XLogP0.70
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The IUPAC name of N-ethyl-4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide (CID 2989778) is N-ethyl-4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The canonical SMILES for N-ethyl-4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide is CCN(CC(=O)N1CCOCC1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The InChIKey is NQWXZUPMRWUNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O4S/c1-2-17(11-14(18)16-7-9-21-10-8-16)22(19,20)13-5-3-12(15)4-6-13/h3-6H,2,7-11H2,1H3.
What are the key properties of N-ethyl-4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
N-ethyl-4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide has a molecular weight of 330.38 g/mol, XLogP of 0.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide is sourced from PubChem (CID 2989778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).