4-methyl-N-(5-thiophen-3-ylquinolin-8-yl)benzenesulfonamide

C20H16N2O2S2 — CID 118873482

IUPAC4-methyl-N-(5-thiophen-3-ylquinolin-8-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-c3ccsc3)c3cccnc23)cc1
InChIInChI=1S/C20H16N2O2S2/c1-14-4-6-16(7-5-14)26(23,24)22-19-9-8-17(15-10-12-25-13-15)18-3-2-11-21-20(18)19/h2-13,22H,1H3
InChIKeyVOEWMJBBSFTVAD-UHFFFAOYSA-N
MW380.49 g/mol
LogP5.07
Rot. Bonds4

About 4-methyl-N-(5-thiophen-3-ylquinolin-8-yl)benzenesulfonamide

4-methyl-N-(5-thiophen-3-ylquinolin-8-yl)benzenesulfonamide (PubChem CID 118873482) has the molecular formula C20H16N2O2S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 4-methyl-N-(5-thiophen-3-ylquinolin-8-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(5-thiophen-3-ylquinolin-8-yl)benzenesulfonamide
PubChem CID118873482
Molecular FormulaC20H16N2O2S2
Molecular Weight380.49 g/mol
Exact Mass380.07
IUPAC Name4-methyl-N-(5-thiophen-3-ylquinolin-8-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-c3ccsc3)c3cccnc23)cc1
InChIInChI=1S/C20H16N2O2S2/c1-14-4-6-16(7-5-14)26(23,24)22-19-9-8-17(15-10-12-25-13-15)18-3-2-11-21-20(18)19/h2-13,22H,1H3
InChIKeyVOEWMJBBSFTVAD-UHFFFAOYSA-N
XLogP5.07
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(5-thiophen-3-ylquinolin-8-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(5-thiophen-3-ylquinolin-8-yl)benzenesulfonamide (CID 118873482) is 4-methyl-N-(5-thiophen-3-ylquinolin-8-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(5-thiophen-3-ylquinolin-8-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(5-thiophen-3-ylquinolin-8-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccsc3)c3cccnc23)cc1.
What is the InChIKey of 4-methyl-N-(5-thiophen-3-ylquinolin-8-yl)benzenesulfonamide?
The InChIKey is VOEWMJBBSFTVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S2/c1-14-4-6-16(7-5-14)26(23,24)22-19-9-8-17(15-10-12-25-13-15)18-3-2-11-21-20(18)19/h2-13,22H,1H3.
What are the key properties of 4-methyl-N-(5-thiophen-3-ylquinolin-8-yl)benzenesulfonamide?
4-methyl-N-(5-thiophen-3-ylquinolin-8-yl)benzenesulfonamide has a molecular weight of 380.49 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(5-thiophen-3-ylquinolin-8-yl)benzenesulfonamide is sourced from PubChem (CID 118873482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).