N-[[4-(furan-3-yl)phenyl]methyl]pyridine-3-sulfonamide

C16H14N2O3S — CID 119103344

IUPACN-[[4-(furan-3-yl)phenyl]methyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCc1ccc(-c2ccoc2)cc1)c1cccnc1
InChIInChI=1S/C16H14N2O3S/c19-22(20,16-2-1-8-17-11-16)18-10-13-3-5-14(6-4-13)15-7-9-21-12-15/h1-9,11-12,18H,10H2
InChIKeyCFHSUVJLPFBVHB-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.82
Rot. Bonds5

About N-[[4-(furan-3-yl)phenyl]methyl]pyridine-3-sulfonamide

N-[[4-(furan-3-yl)phenyl]methyl]pyridine-3-sulfonamide (PubChem CID 119103344) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is N-[[4-(furan-3-yl)phenyl]methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[[4-(furan-3-yl)phenyl]methyl]pyridine-3-sulfonamide
PubChem CID119103344
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC NameN-[[4-(furan-3-yl)phenyl]methyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCc1ccc(-c2ccoc2)cc1)c1cccnc1
InChIInChI=1S/C16H14N2O3S/c19-22(20,16-2-1-8-17-11-16)18-10-13-3-5-14(6-4-13)15-7-9-21-12-15/h1-9,11-12,18H,10H2
InChIKeyCFHSUVJLPFBVHB-UHFFFAOYSA-N
XLogP2.82
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(furan-3-yl)phenyl]methyl]pyridine-3-sulfonamide?
The IUPAC name of N-[[4-(furan-3-yl)phenyl]methyl]pyridine-3-sulfonamide (CID 119103344) is N-[[4-(furan-3-yl)phenyl]methyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[[4-(furan-3-yl)phenyl]methyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[[4-(furan-3-yl)phenyl]methyl]pyridine-3-sulfonamide is O=S(=O)(NCc1ccc(-c2ccoc2)cc1)c1cccnc1.
What is the InChIKey of N-[[4-(furan-3-yl)phenyl]methyl]pyridine-3-sulfonamide?
The InChIKey is CFHSUVJLPFBVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c19-22(20,16-2-1-8-17-11-16)18-10-13-3-5-14(6-4-13)15-7-9-21-12-15/h1-9,11-12,18H,10H2.
What are the key properties of N-[[4-(furan-3-yl)phenyl]methyl]pyridine-3-sulfonamide?
N-[[4-(furan-3-yl)phenyl]methyl]pyridine-3-sulfonamide has a molecular weight of 314.37 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(furan-3-yl)phenyl]methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 119103344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).