N-ethyl-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1,3-dihydro-2-benzofuran-5-sulfonamide

C18H17F4NO3S — CID 168898566

IUPACN-ethyl-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1,3-dihydro-2-benzofuran-5-sulfonamide
SMILESCCN([C@H](c1ccc(F)cc1)C(F)(F)F)S(=O)(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C18H17F4NO3S/c1-2-23(17(18(20,21)22)12-3-6-15(19)7-4-12)27(24,25)16-8-5-13-10-26-11-14(13)9-16/h3-9,17H,2,10-11H2,1H3/t17-/m1/s1
InChIKeyYNWABGPWIPXUAZ-QGZVFWFLSA-N
MW403.40 g/mol
LogP4.17
Rot. Bonds5

About N-ethyl-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1,3-dihydro-2-benzofuran-5-sulfonamide

N-ethyl-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1,3-dihydro-2-benzofuran-5-sulfonamide (PubChem CID 168898566) has the molecular formula C18H17F4NO3S and a molecular weight of 403.40 g/mol. Its IUPAC name is N-ethyl-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1,3-dihydro-2-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1,3-dihydro-2-benzofuran-5-sulfonamide
PubChem CID168898566
Molecular FormulaC18H17F4NO3S
Molecular Weight403.40 g/mol
Exact Mass403.09
IUPAC NameN-ethyl-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1,3-dihydro-2-benzofuran-5-sulfonamide
SMILESCCN([C@H](c1ccc(F)cc1)C(F)(F)F)S(=O)(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C18H17F4NO3S/c1-2-23(17(18(20,21)22)12-3-6-15(19)7-4-12)27(24,25)16-8-5-13-10-26-11-14(13)9-16/h3-9,17H,2,10-11H2,1H3/t17-/m1/s1
InChIKeyYNWABGPWIPXUAZ-QGZVFWFLSA-N
XLogP4.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-ethyl-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1,3-dihydro-2-benzofuran-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1,3-dihydro-2-benzofuran-5-sulfonamide?
The IUPAC name of N-ethyl-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1,3-dihydro-2-benzofuran-5-sulfonamide (CID 168898566) is N-ethyl-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1,3-dihydro-2-benzofuran-5-sulfonamide.
What is the SMILES notation for N-ethyl-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1,3-dihydro-2-benzofuran-5-sulfonamide?
The canonical SMILES for N-ethyl-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1,3-dihydro-2-benzofuran-5-sulfonamide is CCN([C@H](c1ccc(F)cc1)C(F)(F)F)S(=O)(=O)c1ccc2c(c1)COC2.
What is the InChIKey of N-ethyl-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1,3-dihydro-2-benzofuran-5-sulfonamide?
The InChIKey is YNWABGPWIPXUAZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H17F4NO3S/c1-2-23(17(18(20,21)22)12-3-6-15(19)7-4-12)27(24,25)16-8-5-13-10-26-11-14(13)9-16/h3-9,17H,2,10-11H2,1H3/t17-/m1/s1.
What are the key properties of N-ethyl-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1,3-dihydro-2-benzofuran-5-sulfonamide?
N-ethyl-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1,3-dihydro-2-benzofuran-5-sulfonamide has a molecular weight of 403.40 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-1,3-dihydro-2-benzofuran-5-sulfonamide is sourced from PubChem (CID 168898566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).