N-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)benzenesulfonamide

C17H19NO3S — CID 3767572

IUPACN-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccccc2)c2c1CC(C)(C)O2
InChIInChI=1S/C17H19NO3S/c1-12-9-10-15(16-14(12)11-17(2,3)21-16)18-22(19,20)13-7-5-4-6-8-13/h4-10,18H,11H2,1-3H3
InChIKeyXZCATKHLALMKMP-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.51
Rot. Bonds3

About N-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)benzenesulfonamide

N-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)benzenesulfonamide (PubChem CID 3767572) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)benzenesulfonamide
PubChem CID3767572
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC NameN-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccccc2)c2c1CC(C)(C)O2
InChIInChI=1S/C17H19NO3S/c1-12-9-10-15(16-14(12)11-17(2,3)21-16)18-22(19,20)13-7-5-4-6-8-13/h4-10,18H,11H2,1-3H3
InChIKeyXZCATKHLALMKMP-UHFFFAOYSA-N
XLogP3.51
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(2,2,4-trimethyl-2,3-dihydro-1-benzofuran-7-yl)benzenesulfonamide
CID 3793002
N-(3,4-dimethylphenyl)-2,2-dimethyl-3,4-dihydrochromene-6-sulfonamide
CID 44623901
3-methyl-N-(2,2,4-trimethyl-2,3-dihydro-1-benzofuran-7-yl)benzenesulfonamide
CID 5134374
2,2,4,6,7-Pentamethyl-5-(p-toluenesulfonylamino)-2,3-dihydrobenzofuran
CID 10642223
N-(6-phenoxyindan-5-yl)methanesulfonamide
CID 3018586
4-methyl-N-[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2728259
N-(3,4-dimethylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 44623892
N-[6-(2-fluorophenoxy)-2,3-dihydro-1H-inden-5-yl]methanesulfonamide
CID 12887095
N-[6-(3-fluorophenoxy)-2,3-dihydro-1H-inden-5-yl]methanesulfonamide
CID 12887096
N-[6-(4-fluorophenoxy)-2,3-dihydro-1H-inden-5-yl]methanesulfonamide
CID 12887097
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-fluorobenzenesulfonamide
CID 17509696
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-fluorobenzenesulfonamide
CID 17509998

Frequently Asked Questions

What is the IUPAC name of N-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)benzenesulfonamide?
The IUPAC name of N-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)benzenesulfonamide (CID 3767572) is N-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)benzenesulfonamide.
What is the SMILES notation for N-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)benzenesulfonamide?
The canonical SMILES for N-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccccc2)c2c1CC(C)(C)O2.
What is the InChIKey of N-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)benzenesulfonamide?
The InChIKey is XZCATKHLALMKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-12-9-10-15(16-14(12)11-17(2,3)21-16)18-22(19,20)13-7-5-4-6-8-13/h4-10,18H,11H2,1-3H3.
What are the key properties of N-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)benzenesulfonamide?
N-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)benzenesulfonamide has a molecular weight of 317.41 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)benzenesulfonamide is sourced from PubChem (CID 3767572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).