N-(pyridin-2-ylmethoxy)-1-benzofuran-2-sulfonamide

C14H12N2O4S — CID 129056914

IUPACN-(pyridin-2-ylmethoxy)-1-benzofuran-2-sulfonamide
SMILESO=S(=O)(NOCc1ccccn1)c1cc2ccccc2o1
InChIInChI=1S/C14H12N2O4S/c17-21(18,16-19-10-12-6-3-4-8-15-12)14-9-11-5-1-2-7-13(11)20-14/h1-9,16H,10H2
InChIKeyYLSZQONYSDMSGE-UHFFFAOYSA-N
MW304.33 g/mol
LogP2.24
Rot. Bonds5

About N-(pyridin-2-ylmethoxy)-1-benzofuran-2-sulfonamide

N-(pyridin-2-ylmethoxy)-1-benzofuran-2-sulfonamide (PubChem CID 129056914) has the molecular formula C14H12N2O4S and a molecular weight of 304.33 g/mol. Its IUPAC name is N-(pyridin-2-ylmethoxy)-1-benzofuran-2-sulfonamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethoxy)-1-benzofuran-2-sulfonamide
PubChem CID129056914
Molecular FormulaC14H12N2O4S
Molecular Weight304.33 g/mol
Exact Mass304.05
IUPAC NameN-(pyridin-2-ylmethoxy)-1-benzofuran-2-sulfonamide
SMILESO=S(=O)(NOCc1ccccn1)c1cc2ccccc2o1
InChIInChI=1S/C14H12N2O4S/c17-21(18,16-19-10-12-6-3-4-8-15-12)14-9-11-5-1-2-7-13(11)20-14/h1-9,16H,10H2
InChIKeyYLSZQONYSDMSGE-UHFFFAOYSA-N
XLogP2.24
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-(1-benzofuran-2-yl)-2-bromoethyl]pyridine
CID 66455045
1-(1-benzofuran-2-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105184842
N-[3-(aminomethyl)phenyl]-1-benzofuran-2-sulfonamide
CID 155551049
N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 46470158
N-(pyridin-2-ylmethoxy)methanamine
CID 58351102
N-[2-[[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]disulfanyl]-5-chlorophenyl]-1-benzofuran-2-sulfonamide
CID 86667125
N-[5-chloro-2-(pyridin-3-ylmethylsulfanyl)-3-pyridinyl]-1-benzofuran-2-sulfonamide
CID 71728031
pyridin-2-ylmethyl 5-(tert-butylsulfamoyl)furan-2-carboxylate
CID 86989733
1-(1-benzofuran-2-yl)-3-pyrimidin-2-ylpropane-1,3-dione
CID 114552679
N-[5-chloro-2-(ethylsulfonylamino)phenyl]-1-benzofuran-2-sulfonamide
CID 67970231
N-[2-[(dimethylamino)methyl]phenyl]-1-benzofuran-2-sulfonamide
CID 154864109
2-(1-benzofuran-2-ylsulfonylamino)-3-phenylpropanoic acid
CID 154780512

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethoxy)-1-benzofuran-2-sulfonamide?
The IUPAC name of N-(pyridin-2-ylmethoxy)-1-benzofuran-2-sulfonamide (CID 129056914) is N-(pyridin-2-ylmethoxy)-1-benzofuran-2-sulfonamide.
What is the SMILES notation for N-(pyridin-2-ylmethoxy)-1-benzofuran-2-sulfonamide?
The canonical SMILES for N-(pyridin-2-ylmethoxy)-1-benzofuran-2-sulfonamide is O=S(=O)(NOCc1ccccn1)c1cc2ccccc2o1.
What is the InChIKey of N-(pyridin-2-ylmethoxy)-1-benzofuran-2-sulfonamide?
The InChIKey is YLSZQONYSDMSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4S/c17-21(18,16-19-10-12-6-3-4-8-15-12)14-9-11-5-1-2-7-13(11)20-14/h1-9,16H,10H2.
What are the key properties of N-(pyridin-2-ylmethoxy)-1-benzofuran-2-sulfonamide?
N-(pyridin-2-ylmethoxy)-1-benzofuran-2-sulfonamide has a molecular weight of 304.33 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethoxy)-1-benzofuran-2-sulfonamide is sourced from PubChem (CID 129056914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).