4-[4-(6-methoxy-3-pyridinyl)furan-3-yl]benzenesulfonamide

C16H14N2O4S — CID 22182005

IUPAC4-[4-(6-methoxy-3-pyridinyl)furan-3-yl]benzenesulfonamide
SMILESCOc1ccc(-c2cocc2-c2ccc(S(N)(=O)=O)cc2)cn1
InChIInChI=1S/C16H14N2O4S/c1-21-16-7-4-12(8-18-16)15-10-22-9-14(15)11-2-5-13(6-3-11)23(17,19)20/h2-10H,1H3,(H2,17,19,20)
InChIKeyKBDWOMMPDIJRCZ-UHFFFAOYSA-N
MW330.37 g/mol
LogP2.66
Rot. Bonds4

About 4-[4-(6-methoxy-3-pyridinyl)furan-3-yl]benzenesulfonamide

4-[4-(6-methoxy-3-pyridinyl)furan-3-yl]benzenesulfonamide (PubChem CID 22182005) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is 4-[4-(6-methoxy-3-pyridinyl)furan-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(6-methoxy-3-pyridinyl)furan-3-yl]benzenesulfonamide
PubChem CID22182005
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC Name4-[4-(6-methoxy-3-pyridinyl)furan-3-yl]benzenesulfonamide
SMILESCOc1ccc(-c2cocc2-c2ccc(S(N)(=O)=O)cc2)cn1
InChIInChI=1S/C16H14N2O4S/c1-21-16-7-4-12(8-18-16)15-10-22-9-14(15)11-2-5-13(6-3-11)23(17,19)20/h2-10H,1H3,(H2,17,19,20)
InChIKeyKBDWOMMPDIJRCZ-UHFFFAOYSA-N
XLogP2.66
TPSA95.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-methoxy-3-pyridinyl)furan-3-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(6-methoxy-3-pyridinyl)furan-3-yl]benzenesulfonamide (CID 22182005) is 4-[4-(6-methoxy-3-pyridinyl)furan-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(6-methoxy-3-pyridinyl)furan-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(6-methoxy-3-pyridinyl)furan-3-yl]benzenesulfonamide is COc1ccc(-c2cocc2-c2ccc(S(N)(=O)=O)cc2)cn1.
What is the InChIKey of 4-[4-(6-methoxy-3-pyridinyl)furan-3-yl]benzenesulfonamide?
The InChIKey is KBDWOMMPDIJRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c1-21-16-7-4-12(8-18-16)15-10-22-9-14(15)11-2-5-13(6-3-11)23(17,19)20/h2-10H,1H3,(H2,17,19,20).
What are the key properties of 4-[4-(6-methoxy-3-pyridinyl)furan-3-yl]benzenesulfonamide?
4-[4-(6-methoxy-3-pyridinyl)furan-3-yl]benzenesulfonamide has a molecular weight of 330.37 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-methoxy-3-pyridinyl)furan-3-yl]benzenesulfonamide is sourced from PubChem (CID 22182005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).