N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-fluorobenzenesulfonamide

C17H18FNO4S — CID 25358782

IUPACN-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-fluorobenzenesulfonamide
SMILESCCOc1cc2c(cc1NS(=O)(=O)c1ccc(F)cc1)O[C@H](C)C2
InChIInChI=1S/C17H18FNO4S/c1-3-22-17-9-12-8-11(2)23-16(12)10-15(17)19-24(20,21)14-6-4-13(18)5-7-14/h4-7,9-11,19H,3,8H2,1-2H3/t11-/m1/s1
InChIKeyWFZMTIUFUUQBQU-LLVKDONJSA-N
MW351.40 g/mol
LogP3.35
Rot. Bonds5

About N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-fluorobenzenesulfonamide

N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-fluorobenzenesulfonamide (PubChem CID 25358782) has the molecular formula C17H18FNO4S and a molecular weight of 351.40 g/mol. Its IUPAC name is N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-fluorobenzenesulfonamide
PubChem CID25358782
Molecular FormulaC17H18FNO4S
Molecular Weight351.40 g/mol
Exact Mass351.09
IUPAC NameN-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-fluorobenzenesulfonamide
SMILESCCOc1cc2c(cc1NS(=O)(=O)c1ccc(F)cc1)O[C@H](C)C2
InChIInChI=1S/C17H18FNO4S/c1-3-22-17-9-12-8-11(2)23-16(12)10-15(17)19-24(20,21)14-6-4-13(18)5-7-14/h4-7,9-11,19H,3,8H2,1-2H3/t11-/m1/s1
InChIKeyWFZMTIUFUUQBQU-LLVKDONJSA-N
XLogP3.35
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.35
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-methoxybenzenesulfonamide
CID 25358847
3,4-diethoxy-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzenesulfonamide
CID 18109058
4-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]sulfamoyl]benzoic acid
CID 25358788
4-acetyl-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzenesulfonamide
CID 17491170
N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-fluorobenzenesulfonamide
CID 9189970
3-bromo-N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]benzenesulfonamide
CID 25358861
3-cyano-N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]benzenesulfonamide
CID 25358778
3-acetyl-N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]benzenesulfonamide
CID 25358836
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 43053212
methyl 3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)sulfamoyl]benzoate
CID 42888738
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 24541041
2-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-methylbenzenesulfonamide
CID 24629224

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-fluorobenzenesulfonamide (CID 25358782) is N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-fluorobenzenesulfonamide is CCOc1cc2c(cc1NS(=O)(=O)c1ccc(F)cc1)O[C@H](C)C2.
What is the InChIKey of N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-fluorobenzenesulfonamide?
The InChIKey is WFZMTIUFUUQBQU-LLVKDONJSA-N. The full InChI is InChI=1S/C17H18FNO4S/c1-3-22-17-9-12-8-11(2)23-16(12)10-15(17)19-24(20,21)14-6-4-13(18)5-7-14/h4-7,9-11,19H,3,8H2,1-2H3/t11-/m1/s1.
What are the key properties of N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-fluorobenzenesulfonamide?
N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-fluorobenzenesulfonamide has a molecular weight of 351.40 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 25358782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).