N-(2,3-dihydro-1-benzofuran-5-ylmethyl)methanesulfonamide

C10H13NO3S — CID 110787105

IUPACN-(2,3-dihydro-1-benzofuran-5-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)NCc1ccc2c(c1)CCO2
InChIInChI=1S/C10H13NO3S/c1-15(12,13)11-7-8-2-3-10-9(6-8)4-5-14-10/h2-3,6,11H,4-5,7H2,1H3
InChIKeyHRHYCGCMKJHOET-UHFFFAOYSA-N
MW227.28 g/mol
LogP0.67
Rot. Bonds3

About N-(2,3-dihydro-1-benzofuran-5-ylmethyl)methanesulfonamide

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)methanesulfonamide (PubChem CID 110787105) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)methanesulfonamide
PubChem CID110787105
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)NCc1ccc2c(c1)CCO2
InChIInChI=1S/C10H13NO3S/c1-15(12,13)11-7-8-2-3-10-9(6-8)4-5-14-10/h2-3,6,11H,4-5,7H2,1H3
InChIKeyHRHYCGCMKJHOET-UHFFFAOYSA-N
XLogP0.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)methanesulfonamide
CID 110787136
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methylbenzenesulfonamide
CID 110787130
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,3-benzodioxole-5-sulfonamide
CID 110787123
2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid;methanesulfonic acid
CID 159656752
N-(1,3-benzodioxol-5-ylmethyl)methanesulfonamide
CID 591044
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-fluoro-2-methylbenzenesulfonamide
CID 110787117
4-N-cyclopropyl-1-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzene-1,4-disulfonamide
CID 70828500
5-[2-(dimethylsulfamoylamino)ethyl]-2,3-dihydro-1-benzofuran
CID 110792417
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methoxy-2-methylbenzenesulfonamide
CID 110787119
N-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51178750
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-oxopropanamide
CID 115175685
(2,3-dihydro-1-benzofuran-5-ylmethylamino)methanethiol
CID 59518007

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)methanesulfonamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)methanesulfonamide (CID 110787105) is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)methanesulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)methanesulfonamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)methanesulfonamide is CS(=O)(=O)NCc1ccc2c(c1)CCO2.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)methanesulfonamide?
The InChIKey is HRHYCGCMKJHOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-15(12,13)11-7-8-2-3-10-9(6-8)4-5-14-10/h2-3,6,11H,4-5,7H2,1H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)methanesulfonamide?
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)methanesulfonamide has a molecular weight of 227.28 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)methanesulfonamide is sourced from PubChem (CID 110787105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).