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

C14H14N2O3S — CID 51178731

IUPACN-(pyridin-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESO=S(=O)(NCc1cccnc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H14N2O3S/c17-20(18,16-10-11-2-1-6-15-9-11)13-3-4-14-12(8-13)5-7-19-14/h1-4,6,8-9,16H,5,7,10H2
InChIKeyOXLPHLWTQKWZNK-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.50
Rot. Bonds4

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

N-(pyridin-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 51178731) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID51178731
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC NameN-(pyridin-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESO=S(=O)(NCc1cccnc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H14N2O3S/c17-20(18,16-10-11-2-1-6-15-9-11)13-3-4-14-12(8-13)5-7-19-14/h1-4,6,8-9,16H,5,7,10H2
InChIKeyOXLPHLWTQKWZNK-UHFFFAOYSA-N
XLogP1.50
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 130431441
2,2-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydrochromene-6-sulfonamide
CID 100553515
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,3-benzodioxole-5-sulfonamide
CID 110787123
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-[(3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705600
2-oxo-N-(pyridin-3-ylmethyl)-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 45106730
N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 122274715
7-methyl-N-(pyridin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758904
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methylbenzenesulfonamide
CID 110787130
N-[4-(pyridin-3-ylmethylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 112983088
1-acetyl-N-(pyridin-3-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 3640433

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 51178731) is N-(pyridin-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide is O=S(=O)(NCc1cccnc1)c1ccc2c(c1)CCO2.
What is the InChIKey of N-(pyridin-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is OXLPHLWTQKWZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c17-20(18,16-10-11-2-1-6-15-9-11)13-3-4-14-12(8-13)5-7-19-14/h1-4,6,8-9,16H,5,7,10H2.
What are the key properties of N-(pyridin-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-(pyridin-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 290.34 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 51178731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).