N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]oxane-4-sulfonamide

C15H23FN2O3S — CID 75376595

IUPACN-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]oxane-4-sulfonamide
SMILESCN(CCNS(=O)(=O)C1CCOCC1)Cc1ccc(F)cc1
InChIInChI=1S/C15H23FN2O3S/c1-18(12-13-2-4-14(16)5-3-13)9-8-17-22(19,20)15-6-10-21-11-7-15/h2-5,15,17H,6-12H2,1H3
InChIKeyFBBDTSORFMWERX-UHFFFAOYSA-N
MW330.42 g/mol
LogP1.36
Rot. Bonds7

About N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]oxane-4-sulfonamide

N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]oxane-4-sulfonamide (PubChem CID 75376595) has the molecular formula C15H23FN2O3S and a molecular weight of 330.42 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]oxane-4-sulfonamide.

Molecular Properties

Compound NameN-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]oxane-4-sulfonamide
PubChem CID75376595
Molecular FormulaC15H23FN2O3S
Molecular Weight330.42 g/mol
Exact Mass330.14
IUPAC NameN-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]oxane-4-sulfonamide
SMILESCN(CCNS(=O)(=O)C1CCOCC1)Cc1ccc(F)cc1
InChIInChI=1S/C15H23FN2O3S/c1-18(12-13-2-4-14(16)5-3-13)9-8-17-22(19,20)15-6-10-21-11-7-15/h2-5,15,17H,6-12H2,1H3
InChIKeyFBBDTSORFMWERX-UHFFFAOYSA-N
XLogP1.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]oxane-4-sulfonamide?
The IUPAC name of N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]oxane-4-sulfonamide (CID 75376595) is N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]oxane-4-sulfonamide.
What is the SMILES notation for N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]oxane-4-sulfonamide?
The canonical SMILES for N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]oxane-4-sulfonamide is CN(CCNS(=O)(=O)C1CCOCC1)Cc1ccc(F)cc1.
What is the InChIKey of N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]oxane-4-sulfonamide?
The InChIKey is FBBDTSORFMWERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O3S/c1-18(12-13-2-4-14(16)5-3-13)9-8-17-22(19,20)15-6-10-21-11-7-15/h2-5,15,17H,6-12H2,1H3.
What are the key properties of N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]oxane-4-sulfonamide?
N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]oxane-4-sulfonamide has a molecular weight of 330.42 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]oxane-4-sulfonamide is sourced from PubChem (CID 75376595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).