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

C20H15FN2O4S2 — CID 71728260

IUPACN-(2-benzylsulfinyl-5-fluoro-3-pyridinyl)-1-benzofuran-2-sulfonamide
SMILESO=S(Cc1ccccc1)c1ncc(F)cc1NS(=O)(=O)c1cc2ccccc2o1
InChIInChI=1S/C20H15FN2O4S2/c21-16-11-17(20(22-12-16)28(24)13-14-6-2-1-3-7-14)23-29(25,26)19-10-15-8-4-5-9-18(15)27-19/h1-12,23H,13H2
InChIKeyPFTDTOADQMSTEL-UHFFFAOYSA-N
MW430.48 g/mol
LogP4.08
Rot. Bonds6

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

N-(2-benzylsulfinyl-5-fluoro-3-pyridinyl)-1-benzofuran-2-sulfonamide (PubChem CID 71728260) has the molecular formula C20H15FN2O4S2 and a molecular weight of 430.48 g/mol. Its IUPAC name is N-(2-benzylsulfinyl-5-fluoro-3-pyridinyl)-1-benzofuran-2-sulfonamide.

Molecular Properties

Compound NameN-(2-benzylsulfinyl-5-fluoro-3-pyridinyl)-1-benzofuran-2-sulfonamide
PubChem CID71728260
Molecular FormulaC20H15FN2O4S2
Molecular Weight430.48 g/mol
Exact Mass430.05
IUPAC NameN-(2-benzylsulfinyl-5-fluoro-3-pyridinyl)-1-benzofuran-2-sulfonamide
SMILESO=S(Cc1ccccc1)c1ncc(F)cc1NS(=O)(=O)c1cc2ccccc2o1
InChIInChI=1S/C20H15FN2O4S2/c21-16-11-17(20(22-12-16)28(24)13-14-6-2-1-3-7-14)23-29(25,26)19-10-15-8-4-5-9-18(15)27-19/h1-12,23H,13H2
InChIKeyPFTDTOADQMSTEL-UHFFFAOYSA-N
XLogP4.08
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzylsulfinyl-5-fluoro-3-pyridinyl)-1-benzofuran-2-sulfonamide?
The IUPAC name of N-(2-benzylsulfinyl-5-fluoro-3-pyridinyl)-1-benzofuran-2-sulfonamide (CID 71728260) is N-(2-benzylsulfinyl-5-fluoro-3-pyridinyl)-1-benzofuran-2-sulfonamide.
What is the SMILES notation for N-(2-benzylsulfinyl-5-fluoro-3-pyridinyl)-1-benzofuran-2-sulfonamide?
The canonical SMILES for N-(2-benzylsulfinyl-5-fluoro-3-pyridinyl)-1-benzofuran-2-sulfonamide is O=S(Cc1ccccc1)c1ncc(F)cc1NS(=O)(=O)c1cc2ccccc2o1.
What is the InChIKey of N-(2-benzylsulfinyl-5-fluoro-3-pyridinyl)-1-benzofuran-2-sulfonamide?
The InChIKey is PFTDTOADQMSTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O4S2/c21-16-11-17(20(22-12-16)28(24)13-14-6-2-1-3-7-14)23-29(25,26)19-10-15-8-4-5-9-18(15)27-19/h1-12,23H,13H2.
What are the key properties of N-(2-benzylsulfinyl-5-fluoro-3-pyridinyl)-1-benzofuran-2-sulfonamide?
N-(2-benzylsulfinyl-5-fluoro-3-pyridinyl)-1-benzofuran-2-sulfonamide has a molecular weight of 430.48 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylsulfinyl-5-fluoro-3-pyridinyl)-1-benzofuran-2-sulfonamide is sourced from PubChem (CID 71728260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).