N-(1,3-dihydro-2-benzofuran-1-yl)-4-methylbenzenesulfonamide

C15H15NO3S — CID 102525458

IUPACN-(1,3-dihydro-2-benzofuran-1-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2OCc3ccccc32)cc1
InChIInChI=1S/C15H15NO3S/c1-11-6-8-13(9-7-11)20(17,18)16-15-14-5-3-2-4-12(14)10-19-15/h2-9,15-16H,10H2,1H3
InChIKeySOWAWADZEDNCAS-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.50
Rot. Bonds3

About N-(1,3-dihydro-2-benzofuran-1-yl)-4-methylbenzenesulfonamide

N-(1,3-dihydro-2-benzofuran-1-yl)-4-methylbenzenesulfonamide (PubChem CID 102525458) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-(1,3-dihydro-2-benzofuran-1-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-dihydro-2-benzofuran-1-yl)-4-methylbenzenesulfonamide
PubChem CID102525458
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC NameN-(1,3-dihydro-2-benzofuran-1-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2OCc3ccccc32)cc1
InChIInChI=1S/C15H15NO3S/c1-11-6-8-13(9-7-11)20(17,18)16-15-14-5-3-2-4-12(14)10-19-15/h2-9,15-16H,10H2,1H3
InChIKeySOWAWADZEDNCAS-UHFFFAOYSA-N
XLogP2.50
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydro-2-benzofuran-1-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(1,3-dihydro-2-benzofuran-1-yl)-4-methylbenzenesulfonamide (CID 102525458) is N-(1,3-dihydro-2-benzofuran-1-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(1,3-dihydro-2-benzofuran-1-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(1,3-dihydro-2-benzofuran-1-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2OCc3ccccc32)cc1.
What is the InChIKey of N-(1,3-dihydro-2-benzofuran-1-yl)-4-methylbenzenesulfonamide?
The InChIKey is SOWAWADZEDNCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-11-6-8-13(9-7-11)20(17,18)16-15-14-5-3-2-4-12(14)10-19-15/h2-9,15-16H,10H2,1H3.
What are the key properties of N-(1,3-dihydro-2-benzofuran-1-yl)-4-methylbenzenesulfonamide?
N-(1,3-dihydro-2-benzofuran-1-yl)-4-methylbenzenesulfonamide has a molecular weight of 289.36 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydro-2-benzofuran-1-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 102525458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).