N-(5-fluoro-2-phenylsulfanyl-3-pyridinyl)-1-benzofuran-2-sulfonamide

C19H13FN2O3S2 — CID 71726722

IUPACN-(5-fluoro-2-phenylsulfanyl-3-pyridinyl)-1-benzofuran-2-sulfonamide
SMILESO=S(=O)(Nc1cc(F)cnc1Sc1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C19H13FN2O3S2/c20-14-11-16(19(21-12-14)26-15-7-2-1-3-8-15)22-27(23,24)18-10-13-6-4-5-9-17(13)25-18/h1-12,22H
InChIKeyDKPNMGNZFGDYOD-UHFFFAOYSA-N
MW400.46 g/mol
LogP4.92
Rot. Bonds5

About N-(5-fluoro-2-phenylsulfanyl-3-pyridinyl)-1-benzofuran-2-sulfonamide

N-(5-fluoro-2-phenylsulfanyl-3-pyridinyl)-1-benzofuran-2-sulfonamide (PubChem CID 71726722) has the molecular formula C19H13FN2O3S2 and a molecular weight of 400.46 g/mol. Its IUPAC name is N-(5-fluoro-2-phenylsulfanyl-3-pyridinyl)-1-benzofuran-2-sulfonamide.

Molecular Properties

Compound NameN-(5-fluoro-2-phenylsulfanyl-3-pyridinyl)-1-benzofuran-2-sulfonamide
PubChem CID71726722
Molecular FormulaC19H13FN2O3S2
Molecular Weight400.46 g/mol
Exact Mass400.04
IUPAC NameN-(5-fluoro-2-phenylsulfanyl-3-pyridinyl)-1-benzofuran-2-sulfonamide
SMILESO=S(=O)(Nc1cc(F)cnc1Sc1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C19H13FN2O3S2/c20-14-11-16(19(21-12-14)26-15-7-2-1-3-8-15)22-27(23,24)18-10-13-6-4-5-9-17(13)25-18/h1-12,22H
InChIKeyDKPNMGNZFGDYOD-UHFFFAOYSA-N
XLogP4.92
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-phenylsulfanyl-3-pyridinyl)-1-benzofuran-2-sulfonamide?
The IUPAC name of N-(5-fluoro-2-phenylsulfanyl-3-pyridinyl)-1-benzofuran-2-sulfonamide (CID 71726722) is N-(5-fluoro-2-phenylsulfanyl-3-pyridinyl)-1-benzofuran-2-sulfonamide.
What is the SMILES notation for N-(5-fluoro-2-phenylsulfanyl-3-pyridinyl)-1-benzofuran-2-sulfonamide?
The canonical SMILES for N-(5-fluoro-2-phenylsulfanyl-3-pyridinyl)-1-benzofuran-2-sulfonamide is O=S(=O)(Nc1cc(F)cnc1Sc1ccccc1)c1cc2ccccc2o1.
What is the InChIKey of N-(5-fluoro-2-phenylsulfanyl-3-pyridinyl)-1-benzofuran-2-sulfonamide?
The InChIKey is DKPNMGNZFGDYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O3S2/c20-14-11-16(19(21-12-14)26-15-7-2-1-3-8-15)22-27(23,24)18-10-13-6-4-5-9-17(13)25-18/h1-12,22H.
What are the key properties of N-(5-fluoro-2-phenylsulfanyl-3-pyridinyl)-1-benzofuran-2-sulfonamide?
N-(5-fluoro-2-phenylsulfanyl-3-pyridinyl)-1-benzofuran-2-sulfonamide has a molecular weight of 400.46 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-phenylsulfanyl-3-pyridinyl)-1-benzofuran-2-sulfonamide is sourced from PubChem (CID 71726722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).