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

C16H16FNO3S — CID 78793283

IUPACN-[(3-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCN(Cc1cccc(F)c1)S(=O)(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H16FNO3S/c1-18(11-12-3-2-4-14(17)9-12)22(19,20)15-5-6-16-13(10-15)7-8-21-16/h2-6,9-10H,7-8,11H2,1H3
InChIKeyBEHOEMJBWOBYGH-UHFFFAOYSA-N
MW321.37 g/mol
LogP2.58
Rot. Bonds4

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

N-[(3-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 78793283) has the molecular formula C16H16FNO3S and a molecular weight of 321.37 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID78793283
Molecular FormulaC16H16FNO3S
Molecular Weight321.37 g/mol
Exact Mass321.08
IUPAC NameN-[(3-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCN(Cc1cccc(F)c1)S(=O)(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H16FNO3S/c1-18(11-12-3-2-4-14(17)9-12)22(19,20)15-5-6-16-13(10-15)7-8-21-16/h2-6,9-10H,7-8,11H2,1H3
InChIKeyBEHOEMJBWOBYGH-UHFFFAOYSA-N
XLogP2.58
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluorophenyl)methyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 31391407
N-[(3-fluorophenyl)methyl]-N-methyl-4-methylsulfonylbenzenesulfonamide
CID 31534239
N-(2-aminoethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 62688441
N-benzyl-N-ethyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51178749
N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 846883
3-fluoro-N-methyl-N-[(3-pyrrolidin-1-ylphenyl)methyl]benzenesulfonamide
CID 166402631
N-methyl-N-(2-pyridin-4-ylethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 47084792
N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 55873119
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-ethyl-N-methylbenzenesulfonamide
CID 18191917
3-amino-N-[(3-fluorophenyl)methyl]-N,5-dimethylbenzenesulfonamide
CID 43256607
N-cyclopentyl-2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3-fluorophenyl)methyl]ethanesulfonamide
CID 167781763
N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 79701893

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 78793283) is N-[(3-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide is CN(Cc1cccc(F)c1)S(=O)(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is BEHOEMJBWOBYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3S/c1-18(11-12-3-2-4-14(17)9-12)22(19,20)15-5-6-16-13(10-15)7-8-21-16/h2-6,9-10H,7-8,11H2,1H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-[(3-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 321.37 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 78793283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).