2,2-dimethyl-3H-1-benzofuran-7-sulfonamide

C10H13NO3S — CID 13424180

IUPAC2,2-dimethyl-3H-1-benzofuran-7-sulfonamide
SMILESCC1(C)Cc2cccc(S(N)(=O)=O)c2O1
InChIInChI=1S/C10H13NO3S/c1-10(2)6-7-4-3-5-8(9(7)14-10)15(11,12)13/h3-5H,6H2,1-2H3,(H2,11,12,13)
InChIKeyVYFFICQOFMWLII-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.05
Rot. Bonds1

About 2,2-dimethyl-3H-1-benzofuran-7-sulfonamide

2,2-dimethyl-3H-1-benzofuran-7-sulfonamide (PubChem CID 13424180) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is 2,2-dimethyl-3H-1-benzofuran-7-sulfonamide.

Molecular Properties

Compound Name2,2-dimethyl-3H-1-benzofuran-7-sulfonamide
PubChem CID13424180
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name2,2-dimethyl-3H-1-benzofuran-7-sulfonamide
SMILESCC1(C)Cc2cccc(S(N)(=O)=O)c2O1
InChIInChI=1S/C10H13NO3S/c1-10(2)6-7-4-3-5-8(9(7)14-10)15(11,12)13/h3-5H,6H2,1-2H3,(H2,11,12,13)
InChIKeyVYFFICQOFMWLII-UHFFFAOYSA-N
XLogP1.05
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methoxy-3-methylbenzenesulfonamide
CID 847787
2,3-Dihydrobenzofuran-5-sulfonyl Chloride
CID 2776154
Benzenesulfonic acid, dodecyl(sulfophenoxy)-, ammonium salt (1:2)
CID 172053
2,3-Dihydro-1-benzofuran-5-sulfonamide
CID 10899619
2,2-Dimethyl-2,3-dihydro-1-benzofuran-5-sulfonyl chloride
CID 15611038
3,3-Dimethyl-2,3-dihydro-1-benzofuran-5-sulfonyl chloride
CID 18445401
2,3-Dihydro-1-benzofuran-7-sulfonyl chloride
CID 18616199
2-Methoxy-3-methylbenzene-1-sulfonyl chloride
CID 22000404
2-Methyl-2,3-dihydro-1-benzofuran-5-sulfonyl chloride
CID 43187311
3,4-Dihydro-2H-1-benzopyran-8-sulfonyl chloride
CID 45594303
2,2-Dimethyl-3,4-dihydro-2H-1-benzopyran-8-sulfonamide
CID 71326365
2-Methyl-2,3-dihydro-1-benzofuran-7-sulfonyl chloride
CID 83895355

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3H-1-benzofuran-7-sulfonamide?
The IUPAC name of 2,2-dimethyl-3H-1-benzofuran-7-sulfonamide (CID 13424180) is 2,2-dimethyl-3H-1-benzofuran-7-sulfonamide.
What is the SMILES notation for 2,2-dimethyl-3H-1-benzofuran-7-sulfonamide?
The canonical SMILES for 2,2-dimethyl-3H-1-benzofuran-7-sulfonamide is CC1(C)Cc2cccc(S(N)(=O)=O)c2O1.
What is the InChIKey of 2,2-dimethyl-3H-1-benzofuran-7-sulfonamide?
The InChIKey is VYFFICQOFMWLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-10(2)6-7-4-3-5-8(9(7)14-10)15(11,12)13/h3-5H,6H2,1-2H3,(H2,11,12,13).
What are the key properties of 2,2-dimethyl-3H-1-benzofuran-7-sulfonamide?
2,2-dimethyl-3H-1-benzofuran-7-sulfonamide has a molecular weight of 227.28 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3H-1-benzofuran-7-sulfonamide is sourced from PubChem (CID 13424180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).