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

C19H23FN2O3S — CID 55873119

IUPACN-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCN(C)CCN(Cc1ccccc1F)S(=O)(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C19H23FN2O3S/c1-21(2)10-11-22(14-16-5-3-4-6-18(16)20)26(23,24)17-7-8-19-15(13-17)9-12-25-19/h3-8,13H,9-12,14H2,1-2H3
InChIKeyDOJFPKPNJAVVKZ-UHFFFAOYSA-N
MW378.47 g/mol
LogP2.51
Rot. Bonds7

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

N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 55873119) has the molecular formula C19H23FN2O3S and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID55873119
Molecular FormulaC19H23FN2O3S
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCN(C)CCN(Cc1ccccc1F)S(=O)(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C19H23FN2O3S/c1-21(2)10-11-22(14-16-5-3-4-6-18(16)20)26(23,24)17-7-8-19-15(13-17)9-12-25-19/h3-8,13H,9-12,14H2,1-2H3
InChIKeyDOJFPKPNJAVVKZ-UHFFFAOYSA-N
XLogP2.51
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-ethyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51178749
N-[(2-fluorophenyl)methyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 31391555
N-(2-aminoethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 62688441
N-[(3-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 78793283
N-(3-amino-4-phenylbutyl)-N-(2-methylpropyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 71146138
N-(2-aminoethyl)-N-(2-phenylethyl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 120895832
N-methyl-N-(2-pyridin-4-ylethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 47084792
2,3-dihydro-1-benzofuran-5-sulfonyl chloride
CID 2776154
N-(4-ethoxyphenyl)-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 19260194
2-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2-methylpropan-1-amine
CID 116855219
N-[(2-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51178752
N-[(2-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51178741

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 55873119) is N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide is CN(C)CCN(Cc1ccccc1F)S(=O)(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is DOJFPKPNJAVVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3S/c1-21(2)10-11-22(14-16-5-3-4-6-18(16)20)26(23,24)17-7-8-19-15(13-17)9-12-25-19/h3-8,13H,9-12,14H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 378.47 g/mol, XLogP of 2.51, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 55873119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).