2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-sulfonamide

C13H19NO3S — CID 11437140

IUPAC2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-sulfonamide
SMILESCc1c(C)c(S(N)(=O)=O)c(C)c2c1OC(C)(C)C2
InChIInChI=1S/C13H19NO3S/c1-7-8(2)12(18(14,15)16)9(3)10-6-13(4,5)17-11(7)10/h6H2,1-5H3,(H2,14,15,16)
InChIKeyGFKBZBDWCHNYFR-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.97
Rot. Bonds1

About 2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-sulfonamide

2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-sulfonamide (PubChem CID 11437140) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound Name2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-sulfonamide
PubChem CID11437140
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-sulfonamide
SMILESCc1c(C)c(S(N)(=O)=O)c(C)c2c1OC(C)(C)C2
InChIInChI=1S/C13H19NO3S/c1-7-8(2)12(18(14,15)16)9(3)10-6-13(4,5)17-11(7)10/h6H2,1-5H3,(H2,14,15,16)
InChIKeyGFKBZBDWCHNYFR-UHFFFAOYSA-N
XLogP1.97
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,7,8-Trimethyl-2-(4-methylpentyl)-3,4-dihydrochromene-6-sulfonamide
CID 89943874
2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuransulfonyl chloride
CID 4172279
2,2,5,7,8-Pentamethyl-chromane-6-sulfonyl chloride
CID 4374440
2,2,5,7,8-Pentamethyl-3,4-dihydrochromene-6-sulfinate
CID 22184404
4-Methoxy-2,3,6-trimethylbenzenesulfonamide
CID 22614341
2,2,5,7,8-Pentamethyl-3,4-dihydro-2H-1-benzopyran-6-sulfonamide
CID 23221174
2,2,5,7,8-Pentamethyl-6-methylsulfonyl-3,4-dihydrochromene
CID 53780053
2,2,4,6,7-pentamethyl-5-methylsulfonyl-3H-1-benzofuran
CID 59223910
2,2,4,6,7-Pentamethyl-2,3-dihydrobenzofuran-5-sulfonyl isothiocyanate
CID 71653068
N-(3-aminopropoxy)-N-(3-aminopropyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-sulfonamide;hydrochloride
CID 396616
CID 5775123
CID 5775123
2,2,5,7,8-pentamethyl-N-(sulfanylidenemethylidene)-3,4-dihydrochromene-6-sulfonamide
CID 101350234

Frequently Asked Questions

What is the IUPAC name of 2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-sulfonamide?
The IUPAC name of 2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-sulfonamide (CID 11437140) is 2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-sulfonamide.
What is the SMILES notation for 2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-sulfonamide?
The canonical SMILES for 2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-sulfonamide is Cc1c(C)c(S(N)(=O)=O)c(C)c2c1OC(C)(C)C2.
What is the InChIKey of 2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-sulfonamide?
The InChIKey is GFKBZBDWCHNYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-7-8(2)12(18(14,15)16)9(3)10-6-13(4,5)17-11(7)10/h6H2,1-5H3,(H2,14,15,16).
What are the key properties of 2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-sulfonamide?
2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-sulfonamide has a molecular weight of 269.37 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 11437140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).