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

C10H13NO3S — CID 110751798

IUPACN-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)NCC1COc2ccccc21
InChIInChI=1S/C10H13NO3S/c1-15(12,13)11-6-8-7-14-10-5-3-2-4-9(8)10/h2-5,8,11H,6-7H2,1H3
InChIKeyDHURMUXNFAYBSY-UHFFFAOYSA-N
MW227.28 g/mol
LogP0.71
Rot. Bonds3

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

N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanesulfonamide (PubChem CID 110751798) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanesulfonamide
PubChem CID110751798
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC NameN-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)NCC1COc2ccccc21
InChIInChI=1S/C10H13NO3S/c1-15(12,13)11-6-8-7-14-10-5-3-2-4-9(8)10/h2-5,8,11H,6-7H2,1H3
InChIKeyDHURMUXNFAYBSY-UHFFFAOYSA-N
XLogP0.71
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 ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)benzenesulfonamide
CID 110751853
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2,4-dimethoxybenzenesulfonamide
CID 110751818
1-(2,5-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanesulfonamide
CID 126853982
(2R)-2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoic acid
CID 83194430
2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)ethanol
CID 79226581
1-cyclopropyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine
CID 79227058
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanamine
CID 79218793
2-(1-chloroethyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline
CID 79229682
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylbenzamide
CID 110751726
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-phenylbutan-1-amine
CID 79218781
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N',N'-diethylethane-1,2-diamine
CID 79226973
N-(2,3-dihydro-1-benzofuran-3-yl)ethanesulfonamide
CID 62065932

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanesulfonamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanesulfonamide (CID 110751798) is N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanesulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanesulfonamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanesulfonamide is CS(=O)(=O)NCC1COc2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanesulfonamide?
The InChIKey is DHURMUXNFAYBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-15(12,13)11-6-8-7-14-10-5-3-2-4-9(8)10/h2-5,8,11H,6-7H2,1H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanesulfonamide?
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanesulfonamide has a molecular weight of 227.28 g/mol, XLogP of 0.71, 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-3-ylmethyl)methanesulfonamide is sourced from PubChem (CID 110751798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).