N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-fluoro-2-methylbenzenesulfonamide

C16H16FNO3S — CID 110787117

IUPACN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCc1ccc2c(c1)CCO2
InChIInChI=1S/C16H16FNO3S/c1-11-8-14(17)3-5-16(11)22(19,20)18-10-12-2-4-15-13(9-12)6-7-21-15/h2-5,8-9,18H,6-7,10H2,1H3
InChIKeyHZAYDFDKULYCGP-UHFFFAOYSA-N
MW321.37 g/mol
LogP2.55
Rot. Bonds4

About N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-fluoro-2-methylbenzenesulfonamide

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-fluoro-2-methylbenzenesulfonamide (PubChem CID 110787117) has the molecular formula C16H16FNO3S and a molecular weight of 321.37 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-fluoro-2-methylbenzenesulfonamide
PubChem CID110787117
Molecular FormulaC16H16FNO3S
Molecular Weight321.37 g/mol
Exact Mass321.08
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCc1ccc2c(c1)CCO2
InChIInChI=1S/C16H16FNO3S/c1-11-8-14(17)3-5-16(11)22(19,20)18-10-12-2-4-15-13(9-12)6-7-21-15/h2-5,8-9,18H,6-7,10H2,1H3
InChIKeyHZAYDFDKULYCGP-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methoxy-2-methylbenzenesulfonamide
CID 110787119
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)methanesulfonamide
CID 110787105
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methylbenzenesulfonamide
CID 110787130
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,5-difluoroaniline
CID 43804025
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-5-fluoro-2-methylaniline
CID 65431040
4-fluoro-2-methyl-N-(quinoxalin-6-ylmethyl)benzenesulfonamide
CID 110672303
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,3-benzodioxole-5-sulfonamide
CID 110787123
4-fluoro-2-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzenesulfonamide
CID 113095477
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methyl]-4-fluoro-2-methylbenzenesulfonamide
CID 113090860
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-ethoxy-4-fluoroaniline
CID 43804400
4-N-cyclopropyl-1-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzene-1,4-disulfonamide
CID 70828500
N-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51178750

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-fluoro-2-methylbenzenesulfonamide (CID 110787117) is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-fluoro-2-methylbenzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)NCc1ccc2c(c1)CCO2.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-fluoro-2-methylbenzenesulfonamide?
The InChIKey is HZAYDFDKULYCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3S/c1-11-8-14(17)3-5-16(11)22(19,20)18-10-12-2-4-15-13(9-12)6-7-21-15/h2-5,8-9,18H,6-7,10H2,1H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-fluoro-2-methylbenzenesulfonamide?
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-fluoro-2-methylbenzenesulfonamide has a molecular weight of 321.37 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 110787117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).