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

C16H16FNO3S — CID 46807871

IUPACN-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc2c(c1)CCO2)c1ccc(F)cc1
InChIInChI=1S/C16H16FNO3S/c1-11(12-2-4-14(17)5-3-12)18-22(19,20)15-6-7-16-13(10-15)8-9-21-16/h2-7,10-11,18H,8-9H2,1H3
InChIKeyWSCICNRLQZLTPX-UHFFFAOYSA-N
MW321.37 g/mol
LogP2.80
Rot. Bonds4

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

N-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 46807871) has the molecular formula C16H16FNO3S and a molecular weight of 321.37 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID46807871
Molecular FormulaC16H16FNO3S
Molecular Weight321.37 g/mol
Exact Mass321.08
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc2c(c1)CCO2)c1ccc(F)cc1
InChIInChI=1S/C16H16FNO3S/c1-11(12-2-4-14(17)5-3-12)18-22(19,20)15-6-7-16-13(10-15)8-9-21-16/h2-7,10-11,18H,8-9H2,1H3
InChIKeyWSCICNRLQZLTPX-UHFFFAOYSA-N
XLogP2.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51249276
N-butan-2-yl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 60647656
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,4-difluorobenzenesulfonamide
CID 9356151
N-(1-amino-3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 65192981
N-[(1S)-1-phenylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 846846
N-(1-hydroxybutan-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 43501667
N-[(2S)-1-hydroxybutan-2-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 104981893
N-[(1S)-1-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)phenyl]ethyl]-2,2,2-trifluoroacetamide
CID 58862147
4-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 7937746
N-[(2-methylcyclopropyl)-phenylmethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 86959959
3-N-[(1S)-1-(4-fluorophenyl)ethyl]benzene-1,3-disulfonamide
CID 30286902
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 28958747

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 46807871) is N-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide is CC(NS(=O)(=O)c1ccc2c(c1)CCO2)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is WSCICNRLQZLTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3S/c1-11(12-2-4-14(17)5-3-12)18-22(19,20)15-6-7-16-13(10-15)8-9-21-16/h2-7,10-11,18H,8-9H2,1H3.
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 321.37 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 46807871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).