N-(4-methyloxan-4-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide

C14H19NO4S — CID 138044685

IUPACN-(4-methyloxan-4-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCC1(NS(=O)(=O)c2ccc3c(c2)CCO3)CCOCC1
InChIInChI=1S/C14H19NO4S/c1-14(5-8-18-9-6-14)15-20(16,17)12-2-3-13-11(10-12)4-7-19-13/h2-3,10,15H,4-9H2,1H3
InChIKeyXSVSRDLOHXNSOD-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.47
Rot. Bonds3

About N-(4-methyloxan-4-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide

N-(4-methyloxan-4-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 138044685) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-(4-methyloxan-4-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-(4-methyloxan-4-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID138044685
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC NameN-(4-methyloxan-4-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCC1(NS(=O)(=O)c2ccc3c(c2)CCO3)CCOCC1
InChIInChI=1S/C14H19NO4S/c1-14(5-8-18-9-6-14)15-20(16,17)12-2-3-13-11(10-12)4-7-19-13/h2-3,10,15H,4-9H2,1H3
InChIKeyXSVSRDLOHXNSOD-UHFFFAOYSA-N
XLogP1.47
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-methyloxan-4-yl)sulfamoyl]benzenesulfonyl fluoride
CID 114958460
4-N-(4-methyloxan-4-yl)benzene-1,4-disulfonamide
CID 115756410
N-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)cyclohexyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 55361585
N-butan-2-yl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 60647656
N-[3-(methylamino)propyl]-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride
CID 119965027
2,3-dihydro-1-benzofuran-5-sulfonyl chloride
CID 2776154
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51177885
4-cyano-3-methyl-N-(4-methyloxan-4-yl)benzenesulfonamide
CID 106833516
N-(3,4-dimethylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 44623892
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 122356397
2-chloro-N-(4-methyloxan-4-yl)pyridine-4-sulfonamide
CID 113491040
3-chloro-4-(methylaminomethyl)-N-(4-methyloxan-4-yl)benzenesulfonamide
CID 107091667

Frequently Asked Questions

What is the IUPAC name of N-(4-methyloxan-4-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-(4-methyloxan-4-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 138044685) is N-(4-methyloxan-4-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-(4-methyloxan-4-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-(4-methyloxan-4-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide is CC1(NS(=O)(=O)c2ccc3c(c2)CCO3)CCOCC1.
What is the InChIKey of N-(4-methyloxan-4-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is XSVSRDLOHXNSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-14(5-8-18-9-6-14)15-20(16,17)12-2-3-13-11(10-12)4-7-19-13/h2-3,10,15H,4-9H2,1H3.
What are the key properties of N-(4-methyloxan-4-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-(4-methyloxan-4-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 297.38 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyloxan-4-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 138044685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).