N-[(2-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide

C16H17NO4S — CID 51178752

IUPACN-[(2-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H17NO4S/c1-20-15-5-3-2-4-13(15)11-17-22(18,19)14-6-7-16-12(10-14)8-9-21-16/h2-7,10,17H,8-9,11H2,1H3
InChIKeyBCZCVUCRJYBAPC-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.11
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide

N-[(2-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 51178752) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID51178752
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC NameN-[(2-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H17NO4S/c1-20-15-5-3-2-4-13(15)11-17-22(18,19)14-6-7-16-12(10-14)8-9-21-16/h2-7,10,17H,8-9,11H2,1H3
InChIKeyBCZCVUCRJYBAPC-UHFFFAOYSA-N
XLogP2.11
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51178750
N-[(2-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51178741
N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 55460511
N-[(2-ethoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 53281595
3,4-dichloro-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 26948553
N-[2-methoxy-2-(2-methylphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 90598926
N-[(2-methoxyphenyl)methyl]-3-methylbenzenesulfonamide
CID 3841493
3,4-diethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 9186891
3-chloro-N-[(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 3299523
N-[2-(2-methoxyethylamino)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 83038916
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,3-benzodioxole-5-sulfonamide
CID 110787123
N-(pyridin-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51178731

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 51178752) is N-[(2-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide is COc1ccccc1CNS(=O)(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is BCZCVUCRJYBAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S/c1-20-15-5-3-2-4-13(15)11-17-22(18,19)14-6-7-16-12(10-14)8-9-21-16/h2-7,10,17H,8-9,11H2,1H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-[(2-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 319.38 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 51178752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).