2-(2,3-dihydro-1-benzofuran-5-yl)-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]ethanesulfonamide

C19H22FNO4S — CID 126790796

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]ethanesulfonamide
SMILESCOCc1cc(CNS(=O)(=O)CCc2ccc3c(c2)CCO3)ccc1F
InChIInChI=1S/C19H22FNO4S/c1-24-13-17-11-15(2-4-18(17)20)12-21-26(22,23)9-7-14-3-5-19-16(10-14)6-8-25-19/h2-5,10-11,21H,6-9,12-13H2,1H3
InChIKeyRLVFFILHKOFQLY-UHFFFAOYSA-N
MW379.45 g/mol
LogP2.57
Rot. Bonds8

About 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]ethanesulfonamide

2-(2,3-dihydro-1-benzofuran-5-yl)-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]ethanesulfonamide (PubChem CID 126790796) has the molecular formula C19H22FNO4S and a molecular weight of 379.45 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]ethanesulfonamide
PubChem CID126790796
Molecular FormulaC19H22FNO4S
Molecular Weight379.45 g/mol
Exact Mass379.13
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]ethanesulfonamide
SMILESCOCc1cc(CNS(=O)(=O)CCc2ccc3c(c2)CCO3)ccc1F
InChIInChI=1S/C19H22FNO4S/c1-24-13-17-11-15(2-4-18(17)20)12-21-26(22,23)9-7-14-3-5-19-16(10-14)6-8-25-19/h2-5,10-11,21H,6-9,12-13H2,1H3
InChIKeyRLVFFILHKOFQLY-UHFFFAOYSA-N
XLogP2.57
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)methanesulfonamide
CID 110787136
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)methanesulfonamide
CID 110787105
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]ethanesulfonamide
CID 126792986
(2S,3S)-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfonylamino]-3-methylpentanoic acid
CID 122069831
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-fluoro-2-methylbenzenesulfonamide
CID 110787117
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)ethanesulfonamide
CID 71798200
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,5-difluoroaniline
CID 43804025
5-[2-(dimethylsulfamoylamino)ethyl]-2,3-dihydro-1-benzofuran
CID 110792417
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,3-benzodioxole-5-sulfonamide
CID 110787123
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-phenylpropane-1-sulfonamide
CID 110792439
N-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51178750
(2R)-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfonylamino]-2-phenylacetic acid
CID 122069451

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]ethanesulfonamide?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]ethanesulfonamide (CID 126790796) is 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]ethanesulfonamide.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]ethanesulfonamide?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]ethanesulfonamide is COCc1cc(CNS(=O)(=O)CCc2ccc3c(c2)CCO3)ccc1F.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]ethanesulfonamide?
The InChIKey is RLVFFILHKOFQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO4S/c1-24-13-17-11-15(2-4-18(17)20)12-21-26(22,23)9-7-14-3-5-19-16(10-14)6-8-25-19/h2-5,10-11,21H,6-9,12-13H2,1H3.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]ethanesulfonamide?
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]ethanesulfonamide has a molecular weight of 379.45 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]ethanesulfonamide is sourced from PubChem (CID 126790796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).