5,6-dichloro-N-(2,3-dihydro-1-benzofuran-3-yl)pyridine-3-sulfonamide

C13H10Cl2N2O3S — CID 64608045

IUPAC5,6-dichloro-N-(2,3-dihydro-1-benzofuran-3-yl)pyridine-3-sulfonamide
SMILESO=S(=O)(NC1COc2ccccc21)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C13H10Cl2N2O3S/c14-10-5-8(6-16-13(10)15)21(18,19)17-11-7-20-12-4-2-1-3-9(11)12/h1-6,11,17H,7H2
InChIKeyGKOHXYUQRAYPJR-UHFFFAOYSA-N
MW345.21 g/mol
LogP2.80
Rot. Bonds3

About 5,6-dichloro-N-(2,3-dihydro-1-benzofuran-3-yl)pyridine-3-sulfonamide

5,6-dichloro-N-(2,3-dihydro-1-benzofuran-3-yl)pyridine-3-sulfonamide (PubChem CID 64608045) has the molecular formula C13H10Cl2N2O3S and a molecular weight of 345.21 g/mol. Its IUPAC name is 5,6-dichloro-N-(2,3-dihydro-1-benzofuran-3-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5,6-dichloro-N-(2,3-dihydro-1-benzofuran-3-yl)pyridine-3-sulfonamide
PubChem CID64608045
Molecular FormulaC13H10Cl2N2O3S
Molecular Weight345.21 g/mol
Exact Mass343.98
IUPAC Name5,6-dichloro-N-(2,3-dihydro-1-benzofuran-3-yl)pyridine-3-sulfonamide
SMILESO=S(=O)(NC1COc2ccccc21)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C13H10Cl2N2O3S/c14-10-5-8(6-16-13(10)15)21(18,19)17-11-7-20-12-4-2-1-3-9(11)12/h1-6,11,17H,7H2
InChIKeyGKOHXYUQRAYPJR-UHFFFAOYSA-N
XLogP2.80
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.21
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)benzenesulfonamide
CID 110751703
N-(2,3-dihydro-1-benzofuran-3-yl)ethanesulfonamide
CID 62065932
3-(dimethylsulfamoylamino)-2,3-dihydro-1-benzofuran
CID 110751655
N-(2,3-dihydro-1-benzofuran-3-yl)propane-2-sulfonamide
CID 62066112
N-(2,3-dihydro-1-benzofuran-3-yl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 110751697
5,6-dichloro-N-(2,3-dimethylcyclopentyl)pyridine-3-sulfonamide
CID 64908038
2-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-4-methylbenzenesulfonamide
CID 62066677
N-(2,3-dihydro-1-benzofuran-3-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 119032421
5,6-dichloro-N-(2,6-difluorophenyl)pyridine-3-sulfonamide
CID 64625188
5,6-dichloro-N-(2,2-dimethylcyclohexyl)pyridine-3-sulfonamide
CID 79871007
3-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 62065042
5,6-dichloro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-3-sulfonamide
CID 103743716

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(2,3-dihydro-1-benzofuran-3-yl)pyridine-3-sulfonamide?
The IUPAC name of 5,6-dichloro-N-(2,3-dihydro-1-benzofuran-3-yl)pyridine-3-sulfonamide (CID 64608045) is 5,6-dichloro-N-(2,3-dihydro-1-benzofuran-3-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 5,6-dichloro-N-(2,3-dihydro-1-benzofuran-3-yl)pyridine-3-sulfonamide?
The canonical SMILES for 5,6-dichloro-N-(2,3-dihydro-1-benzofuran-3-yl)pyridine-3-sulfonamide is O=S(=O)(NC1COc2ccccc21)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-(2,3-dihydro-1-benzofuran-3-yl)pyridine-3-sulfonamide?
The InChIKey is GKOHXYUQRAYPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O3S/c14-10-5-8(6-16-13(10)15)21(18,19)17-11-7-20-12-4-2-1-3-9(11)12/h1-6,11,17H,7H2.
What are the key properties of 5,6-dichloro-N-(2,3-dihydro-1-benzofuran-3-yl)pyridine-3-sulfonamide?
5,6-dichloro-N-(2,3-dihydro-1-benzofuran-3-yl)pyridine-3-sulfonamide has a molecular weight of 345.21 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-(2,3-dihydro-1-benzofuran-3-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 64608045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).