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

C18H20FNO4S — CID 9189970

IUPACN-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-fluorobenzenesulfonamide
SMILESCCOc1cc2c(cc1CNS(=O)(=O)c1ccc(F)cc1)O[C@H](C)C2
InChIInChI=1S/C18H20FNO4S/c1-3-23-17-9-13-8-12(2)24-18(13)10-14(17)11-20-25(21,22)16-6-4-15(19)5-7-16/h4-7,9-10,12,20H,3,8,11H2,1-2H3/t12-/m1/s1
InChIKeySCVFHJUPOZBGSZ-GFCCVEGCSA-N
MW365.43 g/mol
LogP3.03
Rot. Bonds6

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

N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-fluorobenzenesulfonamide (PubChem CID 9189970) has the molecular formula C18H20FNO4S and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-fluorobenzenesulfonamide
PubChem CID9189970
Molecular FormulaC18H20FNO4S
Molecular Weight365.43 g/mol
Exact Mass365.11
IUPAC NameN-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-fluorobenzenesulfonamide
SMILESCCOc1cc2c(cc1CNS(=O)(=O)c1ccc(F)cc1)O[C@H](C)C2
InChIInChI=1S/C18H20FNO4S/c1-3-23-17-9-13-8-12(2)24-18(13)10-14(17)11-20-25(21,22)16-6-4-15(19)5-7-16/h4-7,9-10,12,20H,3,8,11H2,1-2H3/t12-/m1/s1
InChIKeySCVFHJUPOZBGSZ-GFCCVEGCSA-N
XLogP3.03
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

4-ethoxy-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]benzenesulfonamide
CID 9189967
N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-methylbenzenesulfonamide
CID 9189966
N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3,4-difluorobenzenesulfonamide
CID 9190068
N-[4-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylsulfamoyl]phenyl]acetamide
CID 9189959
N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3,4-dimethoxybenzenesulfonamide
CID 9190059
N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-fluorobenzenesulfonamide
CID 25358782
3-chloro-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]benzenesulfonamide
CID 9189987
N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 9190077
3-(dimethylamino)-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]benzenesulfonamide
CID 75511438
N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-methyl-3-nitrobenzenesulfonamide
CID 9190049
3-[(3,4-difluorophenyl)sulfonylamino]-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]propanamide
CID 24550252
N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 24550255

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-fluorobenzenesulfonamide (CID 9189970) is N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-fluorobenzenesulfonamide is CCOc1cc2c(cc1CNS(=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]methyl]-4-fluorobenzenesulfonamide?
The InChIKey is SCVFHJUPOZBGSZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H20FNO4S/c1-3-23-17-9-13-8-12(2)24-18(13)10-14(17)11-20-25(21,22)16-6-4-15(19)5-7-16/h4-7,9-10,12,20H,3,8,11H2,1-2H3/t12-/m1/s1.
What are the key properties of N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-fluorobenzenesulfonamide?
N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-fluorobenzenesulfonamide has a molecular weight of 365.43 g/mol, XLogP of 3.03, 6 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]methyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 9189970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).