N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide

C14H22N2O4S — CID 103838219

IUPACN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCN(C)CC(C)(O)CNS(=O)(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H22N2O4S/c1-14(17,10-16(2)3)9-15-21(18,19)12-4-5-13-11(8-12)6-7-20-13/h4-5,8,15,17H,6-7,9-10H2,1-3H3
InChIKeyXOGLVIJQUDINCY-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.21
Rot. Bonds6

About N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide

N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 103838219) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID103838219
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC NameN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCN(C)CC(C)(O)CNS(=O)(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H22N2O4S/c1-14(17,10-16(2)3)9-15-21(18,19)12-4-5-13-11(8-12)6-7-20-13/h4-5,8,15,17H,6-7,9-10H2,1-3H3
InChIKeyXOGLVIJQUDINCY-UHFFFAOYSA-N
XLogP0.21
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 65113392
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 103839805
N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 65113353
4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzenesulfonamide
CID 104600145
4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]sulfamoyl]benzamide
CID 103838120
N-[2-(3-chlorophenyl)-2-methoxypropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 90600092
N-[3-(methylamino)propyl]-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride
CID 119965027
2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyridine-4-sulfonamide
CID 106146436
N-butan-2-yl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 60647656
N-[2-(2-methoxyethylamino)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 83038916
N-[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 94605722
N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 65112897

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 103838219) is N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide is CN(C)CC(C)(O)CNS(=O)(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is XOGLVIJQUDINCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-14(17,10-16(2)3)9-15-21(18,19)12-4-5-13-11(8-12)6-7-20-13/h4-5,8,15,17H,6-7,9-10H2,1-3H3.
What are the key properties of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 314.41 g/mol, XLogP of 0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 103838219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).