N-[5-(furan-2-yl)quinolin-8-yl]-4-methylbenzenesulfonamide

C20H16N2O3S — CID 118873466

IUPACN-[5-(furan-2-yl)quinolin-8-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-c3ccco3)c3cccnc23)cc1
InChIInChI=1S/C20H16N2O3S/c1-14-6-8-15(9-7-14)26(23,24)22-18-11-10-16(19-5-3-13-25-19)17-4-2-12-21-20(17)18/h2-13,22H,1H3
InChIKeyZOXDMNSVOSOAHN-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.60
Rot. Bonds4

About N-[5-(furan-2-yl)quinolin-8-yl]-4-methylbenzenesulfonamide

N-[5-(furan-2-yl)quinolin-8-yl]-4-methylbenzenesulfonamide (PubChem CID 118873466) has the molecular formula C20H16N2O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-[5-(furan-2-yl)quinolin-8-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(furan-2-yl)quinolin-8-yl]-4-methylbenzenesulfonamide
PubChem CID118873466
Molecular FormulaC20H16N2O3S
Molecular Weight364.43 g/mol
Exact Mass364.09
IUPAC NameN-[5-(furan-2-yl)quinolin-8-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-c3ccco3)c3cccnc23)cc1
InChIInChI=1S/C20H16N2O3S/c1-14-6-8-15(9-7-14)26(23,24)22-18-11-10-16(19-5-3-13-25-19)17-4-2-12-21-20(17)18/h2-13,22H,1H3
InChIKeyZOXDMNSVOSOAHN-UHFFFAOYSA-N
XLogP4.60
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-2-yl)quinolin-8-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[5-(furan-2-yl)quinolin-8-yl]-4-methylbenzenesulfonamide (CID 118873466) is N-[5-(furan-2-yl)quinolin-8-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[5-(furan-2-yl)quinolin-8-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[5-(furan-2-yl)quinolin-8-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccco3)c3cccnc23)cc1.
What is the InChIKey of N-[5-(furan-2-yl)quinolin-8-yl]-4-methylbenzenesulfonamide?
The InChIKey is ZOXDMNSVOSOAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3S/c1-14-6-8-15(9-7-14)26(23,24)22-18-11-10-16(19-5-3-13-25-19)17-4-2-12-21-20(17)18/h2-13,22H,1H3.
What are the key properties of N-[5-(furan-2-yl)quinolin-8-yl]-4-methylbenzenesulfonamide?
N-[5-(furan-2-yl)quinolin-8-yl]-4-methylbenzenesulfonamide has a molecular weight of 364.43 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(furan-2-yl)quinolin-8-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 118873466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).