N,3,3-trimethyl-2H-1-benzofuran-6-sulfonamide

C11H15NO3S — CID 125457647

IUPACN,3,3-trimethyl-2H-1-benzofuran-6-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)OCC2(C)C
InChIInChI=1S/C11H15NO3S/c1-11(2)7-15-10-6-8(4-5-9(10)11)16(13,14)12-3/h4-6,12H,7H2,1-3H3
InChIKeySBHIGEOLARVADA-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.26
Rot. Bonds2

About N,3,3-trimethyl-2H-1-benzofuran-6-sulfonamide

N,3,3-trimethyl-2H-1-benzofuran-6-sulfonamide (PubChem CID 125457647) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is N,3,3-trimethyl-2H-1-benzofuran-6-sulfonamide.

Molecular Properties

Compound NameN,3,3-trimethyl-2H-1-benzofuran-6-sulfonamide
PubChem CID125457647
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC NameN,3,3-trimethyl-2H-1-benzofuran-6-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)OCC2(C)C
InChIInChI=1S/C11H15NO3S/c1-11(2)7-15-10-6-8(4-5-9(10)11)16(13,14)12-3/h4-6,12H,7H2,1-3H3
InChIKeySBHIGEOLARVADA-UHFFFAOYSA-N
XLogP1.26
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-2H-1-benzofuran-5-carbaldehyde
CID 20536180
(3,3-dimethyl-2H-1-benzofuran-6-yl) carbamate
CID 175536029
N,4-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
CID 75486975
2-[4-[[(3,3-dimethyl-2H-1-benzofuran-6-yl)methylamino]methyl]phenyl]acetic acid
CID 166265918
(2R)-2-amino-N-methyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 95804126
4-[(3,3-dimethyl-2H-1-benzofuran-5-yl)methyl]cyclohexa-1,3-diene-1-sulfonic acid
CID 151089706
4-amino-N-methyl-3-(morpholin-4-ylamino)benzenesulfonamide
CID 83003158
4-amino-N-methyl-3-[(2-methylcyclopropyl)amino]benzenesulfonamide
CID 82898673
1-chloro-3-[(3,3-dimethyl-2H-1-benzofuran-6-yl)amino]propan-2-ol
CID 168640059
4-amino-N-methyl-3-[(2-methylcyclopentyl)amino]benzenesulfonamide
CID 82900869
N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 82355229
4-amino-N-methyl-3-(oxolan-3-ylamino)benzenesulfonamide
CID 82901171

Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-2H-1-benzofuran-6-sulfonamide?
The IUPAC name of N,3,3-trimethyl-2H-1-benzofuran-6-sulfonamide (CID 125457647) is N,3,3-trimethyl-2H-1-benzofuran-6-sulfonamide.
What is the SMILES notation for N,3,3-trimethyl-2H-1-benzofuran-6-sulfonamide?
The canonical SMILES for N,3,3-trimethyl-2H-1-benzofuran-6-sulfonamide is CNS(=O)(=O)c1ccc2c(c1)OCC2(C)C.
What is the InChIKey of N,3,3-trimethyl-2H-1-benzofuran-6-sulfonamide?
The InChIKey is SBHIGEOLARVADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-11(2)7-15-10-6-8(4-5-9(10)11)16(13,14)12-3/h4-6,12H,7H2,1-3H3.
What are the key properties of N,3,3-trimethyl-2H-1-benzofuran-6-sulfonamide?
N,3,3-trimethyl-2H-1-benzofuran-6-sulfonamide has a molecular weight of 241.31 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-2H-1-benzofuran-6-sulfonamide is sourced from PubChem (CID 125457647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).