5-chloro-N-pyridin-2-yl-2,3-dihydro-1-benzofuran-7-sulfonamide

C13H11ClN2O3S — CID 75454444

IUPAC5-chloro-N-pyridin-2-yl-2,3-dihydro-1-benzofuran-7-sulfonamide
SMILESO=S(=O)(Nc1ccccn1)c1cc(Cl)cc2c1OCC2
InChIInChI=1S/C13H11ClN2O3S/c14-10-7-9-4-6-19-13(9)11(8-10)20(17,18)16-12-3-1-2-5-15-12/h1-3,5,7-8H,4,6H2,(H,15,16)
InChIKeyKVOWZWUQDUBEMA-UHFFFAOYSA-N
MW310.76 g/mol
LogP2.47
Rot. Bonds3

About 5-chloro-N-pyridin-2-yl-2,3-dihydro-1-benzofuran-7-sulfonamide

5-chloro-N-pyridin-2-yl-2,3-dihydro-1-benzofuran-7-sulfonamide (PubChem CID 75454444) has the molecular formula C13H11ClN2O3S and a molecular weight of 310.76 g/mol. Its IUPAC name is 5-chloro-N-pyridin-2-yl-2,3-dihydro-1-benzofuran-7-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-pyridin-2-yl-2,3-dihydro-1-benzofuran-7-sulfonamide
PubChem CID75454444
Molecular FormulaC13H11ClN2O3S
Molecular Weight310.76 g/mol
Exact Mass310.02
IUPAC Name5-chloro-N-pyridin-2-yl-2,3-dihydro-1-benzofuran-7-sulfonamide
SMILESO=S(=O)(Nc1ccccn1)c1cc(Cl)cc2c1OCC2
InChIInChI=1S/C13H11ClN2O3S/c14-10-7-9-4-6-19-13(9)11(8-10)20(17,18)16-12-3-1-2-5-15-12/h1-3,5,7-8H,4,6H2,(H,15,16)
InChIKeyKVOWZWUQDUBEMA-UHFFFAOYSA-N
XLogP2.47
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.76
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-pyridin-2-yl-2,3-dihydro-1-benzofuran-7-sulfonamide?
The IUPAC name of 5-chloro-N-pyridin-2-yl-2,3-dihydro-1-benzofuran-7-sulfonamide (CID 75454444) is 5-chloro-N-pyridin-2-yl-2,3-dihydro-1-benzofuran-7-sulfonamide.
What is the SMILES notation for 5-chloro-N-pyridin-2-yl-2,3-dihydro-1-benzofuran-7-sulfonamide?
The canonical SMILES for 5-chloro-N-pyridin-2-yl-2,3-dihydro-1-benzofuran-7-sulfonamide is O=S(=O)(Nc1ccccn1)c1cc(Cl)cc2c1OCC2.
What is the InChIKey of 5-chloro-N-pyridin-2-yl-2,3-dihydro-1-benzofuran-7-sulfonamide?
The InChIKey is KVOWZWUQDUBEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3S/c14-10-7-9-4-6-19-13(9)11(8-10)20(17,18)16-12-3-1-2-5-15-12/h1-3,5,7-8H,4,6H2,(H,15,16).
What are the key properties of 5-chloro-N-pyridin-2-yl-2,3-dihydro-1-benzofuran-7-sulfonamide?
5-chloro-N-pyridin-2-yl-2,3-dihydro-1-benzofuran-7-sulfonamide has a molecular weight of 310.76 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-pyridin-2-yl-2,3-dihydro-1-benzofuran-7-sulfonamide is sourced from PubChem (CID 75454444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).