N-[[4-[ethyl(methyl)amino]-3-fluorophenyl]methyl]oxane-4-sulfonamide

C15H23FN2O3S — CID 75373335

IUPACN-[[4-[ethyl(methyl)amino]-3-fluorophenyl]methyl]oxane-4-sulfonamide
SMILESCCN(C)c1ccc(CNS(=O)(=O)C2CCOCC2)cc1F
InChIInChI=1S/C15H23FN2O3S/c1-3-18(2)15-5-4-12(10-14(15)16)11-17-22(19,20)13-6-8-21-9-7-13/h4-5,10,13,17H,3,6-9,11H2,1-2H3
InChIKeyZYXUOEURECCWMZ-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.88
Rot. Bonds6

About N-[[4-[ethyl(methyl)amino]-3-fluorophenyl]methyl]oxane-4-sulfonamide

N-[[4-[ethyl(methyl)amino]-3-fluorophenyl]methyl]oxane-4-sulfonamide (PubChem CID 75373335) has the molecular formula C15H23FN2O3S and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[[4-[ethyl(methyl)amino]-3-fluorophenyl]methyl]oxane-4-sulfonamide.

Molecular Properties

Compound NameN-[[4-[ethyl(methyl)amino]-3-fluorophenyl]methyl]oxane-4-sulfonamide
PubChem CID75373335
Molecular FormulaC15H23FN2O3S
Molecular Weight330.43 g/mol
Exact Mass330.14
IUPAC NameN-[[4-[ethyl(methyl)amino]-3-fluorophenyl]methyl]oxane-4-sulfonamide
SMILESCCN(C)c1ccc(CNS(=O)(=O)C2CCOCC2)cc1F
InChIInChI=1S/C15H23FN2O3S/c1-3-18(2)15-5-4-12(10-14(15)16)11-17-22(19,20)13-6-8-21-9-7-13/h4-5,10,13,17H,3,6-9,11H2,1-2H3
InChIKeyZYXUOEURECCWMZ-UHFFFAOYSA-N
XLogP1.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[ethyl(methyl)amino]-3-fluorophenyl]methyl]oxane-4-sulfonamide?
The IUPAC name of N-[[4-[ethyl(methyl)amino]-3-fluorophenyl]methyl]oxane-4-sulfonamide (CID 75373335) is N-[[4-[ethyl(methyl)amino]-3-fluorophenyl]methyl]oxane-4-sulfonamide.
What is the SMILES notation for N-[[4-[ethyl(methyl)amino]-3-fluorophenyl]methyl]oxane-4-sulfonamide?
The canonical SMILES for N-[[4-[ethyl(methyl)amino]-3-fluorophenyl]methyl]oxane-4-sulfonamide is CCN(C)c1ccc(CNS(=O)(=O)C2CCOCC2)cc1F.
What is the InChIKey of N-[[4-[ethyl(methyl)amino]-3-fluorophenyl]methyl]oxane-4-sulfonamide?
The InChIKey is ZYXUOEURECCWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O3S/c1-3-18(2)15-5-4-12(10-14(15)16)11-17-22(19,20)13-6-8-21-9-7-13/h4-5,10,13,17H,3,6-9,11H2,1-2H3.
What are the key properties of N-[[4-[ethyl(methyl)amino]-3-fluorophenyl]methyl]oxane-4-sulfonamide?
N-[[4-[ethyl(methyl)amino]-3-fluorophenyl]methyl]oxane-4-sulfonamide has a molecular weight of 330.43 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[ethyl(methyl)amino]-3-fluorophenyl]methyl]oxane-4-sulfonamide is sourced from PubChem (CID 75373335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).