N-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methylphenyl)methanesulfonamide

C16H17NO3S — CID 110726270

IUPACN-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)Nc1ccc2c(c1)CCO2
InChIInChI=1S/C16H17NO3S/c1-12-4-2-3-5-14(12)11-21(18,19)17-15-6-7-16-13(10-15)8-9-20-16/h2-7,10,17H,8-9,11H2,1H3
InChIKeyZNEWPGNZNVRDNK-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.87
Rot. Bonds4

About N-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methylphenyl)methanesulfonamide

N-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methylphenyl)methanesulfonamide (PubChem CID 110726270) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methylphenyl)methanesulfonamide
PubChem CID110726270
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)Nc1ccc2c(c1)CCO2
InChIInChI=1S/C16H17NO3S/c1-12-4-2-3-5-14(12)11-21(18,19)17-15-6-7-16-13(10-15)8-9-20-16/h2-7,10,17H,8-9,11H2,1H3
InChIKeyZNEWPGNZNVRDNK-UHFFFAOYSA-N
XLogP2.87
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-chromen-6-yl)-1-phenylmethanesulfonamide
CID 110726216
N-(3,4-dihydro-2H-chromen-6-yl)-1-(3-methylphenyl)methanesulfonamide
CID 110726218
N-(1-methyl-2-oxo-3H-indol-5-yl)-1-(2-methylphenyl)methanesulfonamide
CID 41342513
1-(2-methylphenyl)-N-(3-morpholin-4-ylphenyl)methanesulfonamide
CID 110362407
N-(3,4-dimethylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 44623892
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1-(2-methylphenyl)methanesulfonamide
CID 43990643
N-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)methanesulfonamide
CID 110776517
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-nitrophenyl)methanesulfonamide
CID 3751776
N-(1,3-benzodioxol-5-yl)-2-[(2-methylphenyl)methylsulfonylamino]acetamide
CID 110370513
1-(2-methylphenyl)-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)methanesulfonamide
CID 16926421
1-(2-methylphenyl)-N-(4-pyrrol-1-ylphenyl)methanesulfonamide
CID 110726362
N-(2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-yl)-1-(2-methylphenyl)methanesulfonamide
CID 110399987

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methylphenyl)methanesulfonamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methylphenyl)methanesulfonamide (CID 110726270) is N-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methylphenyl)methanesulfonamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methylphenyl)methanesulfonamide is Cc1ccccc1CS(=O)(=O)Nc1ccc2c(c1)CCO2.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methylphenyl)methanesulfonamide?
The InChIKey is ZNEWPGNZNVRDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-12-4-2-3-5-14(12)11-21(18,19)17-15-6-7-16-13(10-15)8-9-20-16/h2-7,10,17H,8-9,11H2,1H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methylphenyl)methanesulfonamide?
N-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methylphenyl)methanesulfonamide has a molecular weight of 303.38 g/mol, XLogP of 2.87, 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-yl)-1-(2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 110726270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).