N-(furan-2-ylmethyl)-N-pyridin-2-ylbenzenesulfonamide

C16H14N2O3S — CID 1051522

IUPACN-(furan-2-ylmethyl)-N-pyridin-2-ylbenzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1ccco1)c1ccccn1
InChIInChI=1S/C16H14N2O3S/c19-22(20,15-8-2-1-3-9-15)18(13-14-7-6-12-21-14)16-10-4-5-11-17-16/h1-12H,13H2
InChIKeyWPYFHHDFEUAYPF-UHFFFAOYSA-N
MW314.37 g/mol
LogP3.07
Rot. Bonds5

About N-(furan-2-ylmethyl)-N-pyridin-2-ylbenzenesulfonamide

N-(furan-2-ylmethyl)-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 1051522) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-pyridin-2-ylbenzenesulfonamide
PubChem CID1051522
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC NameN-(furan-2-ylmethyl)-N-pyridin-2-ylbenzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1ccco1)c1ccccn1
InChIInChI=1S/C16H14N2O3S/c19-22(20,15-8-2-1-3-9-15)18(13-14-7-6-12-21-14)16-10-4-5-11-17-16/h1-12H,13H2
InChIKeyWPYFHHDFEUAYPF-UHFFFAOYSA-N
XLogP3.07
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-pyridin-2-ylbenzenesulfonamide (CID 1051522) is N-(furan-2-ylmethyl)-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-pyridin-2-ylbenzenesulfonamide is O=S(=O)(c1ccccc1)N(Cc1ccco1)c1ccccn1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is WPYFHHDFEUAYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c19-22(20,15-8-2-1-3-9-15)18(13-14-7-6-12-21-14)16-10-4-5-11-17-16/h1-12H,13H2.
What are the key properties of N-(furan-2-ylmethyl)-N-pyridin-2-ylbenzenesulfonamide?
N-(furan-2-ylmethyl)-N-pyridin-2-ylbenzenesulfonamide has a molecular weight of 314.37 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 1051522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).