N-[3-(hydroxymethyl)phenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide

C15H15NO4S — CID 60661387

IUPACN-[3-(hydroxymethyl)phenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESO=S(=O)(Nc1cccc(CO)c1)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H15NO4S/c17-10-11-2-1-3-13(8-11)16-21(18,19)14-4-5-15-12(9-14)6-7-20-15/h1-5,8-9,16-17H,6-7,10H2
InChIKeyMBVZOSJHZPZJGX-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.91
Rot. Bonds4

About N-[3-(hydroxymethyl)phenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide

N-[3-(hydroxymethyl)phenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 60661387) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)phenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)phenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID60661387
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC NameN-[3-(hydroxymethyl)phenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESO=S(=O)(Nc1cccc(CO)c1)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H15NO4S/c17-10-11-2-1-3-13(8-11)16-21(18,19)14-4-5-15-12(9-14)6-7-20-15/h1-5,8-9,16-17H,6-7,10H2
InChIKeyMBVZOSJHZPZJGX-UHFFFAOYSA-N
XLogP1.91
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51177885
N-(3,4-dimethylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 44623892
N-[3-(hydroxymethyl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9067979
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705679
4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-N,N-diethylbenzamide
CID 51177921
N-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)phenyl]-N-methylacetamide
CID 86858443
N-[2-(trifluoromethyl)pyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 166375644
N-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 46807428
N-(4-methylphenyl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705643
N-[3-(bromomethyl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 114298978
N-(1-hydroxybutan-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 43501667
N-[(2S)-1-hydroxybutan-2-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 104981893

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)phenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-[3-(hydroxymethyl)phenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 60661387) is N-[3-(hydroxymethyl)phenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-[3-(hydroxymethyl)phenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-[3-(hydroxymethyl)phenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide is O=S(=O)(Nc1cccc(CO)c1)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[3-(hydroxymethyl)phenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is MBVZOSJHZPZJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c17-10-11-2-1-3-13(8-11)16-21(18,19)14-4-5-15-12(9-14)6-7-20-15/h1-5,8-9,16-17H,6-7,10H2.
What are the key properties of N-[3-(hydroxymethyl)phenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-[3-(hydroxymethyl)phenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 305.36 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)phenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 60661387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).