N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(trifluoromethyl)benzenesulfonamide

C18H18F3NO4S — CID 24541041

IUPACN-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCCOc1cc2c(cc1NS(=O)(=O)c1ccccc1C(F)(F)F)OC(C)C2
InChIInChI=1S/C18H18F3NO4S/c1-3-25-16-9-12-8-11(2)26-15(12)10-14(16)22-27(23,24)17-7-5-4-6-13(17)18(19,20)21/h4-7,9-11,22H,3,8H2,1-2H3
InChIKeyAMADEWYRXSDGHO-UHFFFAOYSA-N
MW401.41 g/mol
LogP4.23
Rot. Bonds5

About N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(trifluoromethyl)benzenesulfonamide

N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 24541041) has the molecular formula C18H18F3NO4S and a molecular weight of 401.41 g/mol. Its IUPAC name is N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID24541041
Molecular FormulaC18H18F3NO4S
Molecular Weight401.41 g/mol
Exact Mass401.09
IUPAC NameN-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCCOc1cc2c(cc1NS(=O)(=O)c1ccccc1C(F)(F)F)OC(C)C2
InChIInChI=1S/C18H18F3NO4S/c1-3-25-16-9-12-8-11(2)26-15(12)10-14(16)22-27(23,24)17-7-5-4-6-13(17)18(19,20)21/h4-7,9-11,22H,3,8H2,1-2H3
InChIKeyAMADEWYRXSDGHO-UHFFFAOYSA-N
XLogP4.23
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.41
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-fluorobenzenesulfonamide
CID 25358782
4-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]sulfamoyl]benzoic acid
CID 25358788
3,4-diethoxy-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzenesulfonamide
CID 18109058
2-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-methylbenzenesulfonamide
CID 24629224
3-bromo-N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]benzenesulfonamide
CID 25358861
4-acetyl-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzenesulfonamide
CID 17491170
3-acetyl-N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]benzenesulfonamide
CID 25358836
N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-methoxybenzenesulfonamide
CID 25358847
methyl 3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)sulfamoyl]benzoate
CID 42888738
3-cyano-N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]benzenesulfonamide
CID 25358778
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55461951
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 43053212

Frequently Asked Questions

What is the IUPAC name of N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(trifluoromethyl)benzenesulfonamide (CID 24541041) is N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(trifluoromethyl)benzenesulfonamide is CCOc1cc2c(cc1NS(=O)(=O)c1ccccc1C(F)(F)F)OC(C)C2.
What is the InChIKey of N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is AMADEWYRXSDGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO4S/c1-3-25-16-9-12-8-11(2)26-15(12)10-14(16)22-27(23,24)17-7-5-4-6-13(17)18(19,20)21/h4-7,9-11,22H,3,8H2,1-2H3.
What are the key properties of N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(trifluoromethyl)benzenesulfonamide?
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 401.41 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 24541041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).