3-cyano-5-fluoro-N-(morpholin-4-ylmethyl)-N-propylbenzenesulfonamide

C15H20FN3O3S — CID 170120727

IUPAC3-cyano-5-fluoro-N-(morpholin-4-ylmethyl)-N-propylbenzenesulfonamide
SMILESCCCN(CN1CCOCC1)S(=O)(=O)c1cc(F)cc(C#N)c1
InChIInChI=1S/C15H20FN3O3S/c1-2-3-19(12-18-4-6-22-7-5-18)23(20,21)15-9-13(11-17)8-14(16)10-15/h8-10H,2-7,12H2,1H3
InChIKeyFEMJUXHTJSHQIA-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.39
Rot. Bonds6

About 3-cyano-5-fluoro-N-(morpholin-4-ylmethyl)-N-propylbenzenesulfonamide

3-cyano-5-fluoro-N-(morpholin-4-ylmethyl)-N-propylbenzenesulfonamide (PubChem CID 170120727) has the molecular formula C15H20FN3O3S and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-cyano-5-fluoro-N-(morpholin-4-ylmethyl)-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name3-cyano-5-fluoro-N-(morpholin-4-ylmethyl)-N-propylbenzenesulfonamide
PubChem CID170120727
Molecular FormulaC15H20FN3O3S
Molecular Weight341.41 g/mol
Exact Mass341.12
IUPAC Name3-cyano-5-fluoro-N-(morpholin-4-ylmethyl)-N-propylbenzenesulfonamide
SMILESCCCN(CN1CCOCC1)S(=O)(=O)c1cc(F)cc(C#N)c1
InChIInChI=1S/C15H20FN3O3S/c1-2-3-19(12-18-4-6-22-7-5-18)23(20,21)15-9-13(11-17)8-14(16)10-15/h8-10H,2-7,12H2,1H3
InChIKeyFEMJUXHTJSHQIA-UHFFFAOYSA-N
XLogP1.39
TPSA73.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-5-fluoro-N-(morpholin-4-ylmethyl)-N-propylbenzenesulfonamide?
The IUPAC name of 3-cyano-5-fluoro-N-(morpholin-4-ylmethyl)-N-propylbenzenesulfonamide (CID 170120727) is 3-cyano-5-fluoro-N-(morpholin-4-ylmethyl)-N-propylbenzenesulfonamide.
What is the SMILES notation for 3-cyano-5-fluoro-N-(morpholin-4-ylmethyl)-N-propylbenzenesulfonamide?
The canonical SMILES for 3-cyano-5-fluoro-N-(morpholin-4-ylmethyl)-N-propylbenzenesulfonamide is CCCN(CN1CCOCC1)S(=O)(=O)c1cc(F)cc(C#N)c1.
What is the InChIKey of 3-cyano-5-fluoro-N-(morpholin-4-ylmethyl)-N-propylbenzenesulfonamide?
The InChIKey is FEMJUXHTJSHQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O3S/c1-2-3-19(12-18-4-6-22-7-5-18)23(20,21)15-9-13(11-17)8-14(16)10-15/h8-10H,2-7,12H2,1H3.
What are the key properties of 3-cyano-5-fluoro-N-(morpholin-4-ylmethyl)-N-propylbenzenesulfonamide?
3-cyano-5-fluoro-N-(morpholin-4-ylmethyl)-N-propylbenzenesulfonamide has a molecular weight of 341.41 g/mol, XLogP of 1.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-5-fluoro-N-(morpholin-4-ylmethyl)-N-propylbenzenesulfonamide is sourced from PubChem (CID 170120727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).