N-(3,4-dimethylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide

C16H17NO3S — CID 44623892

IUPACN-(3,4-dimethylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc3c(c2)CCO3)cc1C
InChIInChI=1S/C16H17NO3S/c1-11-3-4-14(9-12(11)2)17-21(18,19)15-5-6-16-13(10-15)7-8-20-16/h3-6,9-10,17H,7-8H2,1-2H3
InChIKeyQZSFYJIYVVPYDL-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.04
Rot. Bonds3

About N-(3,4-dimethylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide

N-(3,4-dimethylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 44623892) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID44623892
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC NameN-(3,4-dimethylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc3c(c2)CCO3)cc1C
InChIInChI=1S/C16H17NO3S/c1-11-3-4-14(9-12(11)2)17-21(18,19)15-5-6-16-13(10-15)7-8-20-16/h3-6,9-10,17H,7-8H2,1-2H3
InChIKeyQZSFYJIYVVPYDL-UHFFFAOYSA-N
XLogP3.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51177885
N-(4-methylphenyl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705643
N-(4-methyl-1H-pyrazol-5-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 115631156
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705679
N-(4-bromo-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 46807417
N-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)phenyl]-N-methylacetamide
CID 86858443
N-[3-(hydroxymethyl)phenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 60661387
4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-N,N-diethylbenzamide
CID 51177921
N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 71271610
N-(4-methoxy-3-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110776444
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 122356397
N-(3,4-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
CID 12606933

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 44623892) is N-(3,4-dimethylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide is Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCO3)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is QZSFYJIYVVPYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-11-3-4-14(9-12(11)2)17-21(18,19)15-5-6-16-13(10-15)7-8-20-16/h3-6,9-10,17H,7-8H2,1-2H3.
What are the key properties of N-(3,4-dimethylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-(3,4-dimethylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 303.38 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 44623892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).