4-chloro-N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide

C₁₇H₁₇ClN₂O₃S — CID 166375464

About 4-chloro-N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide

4-chloro-N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide (PubChem CID 166375464) has the molecular formula C₁₇H₁₇ClN₂O₃S and a molecular weight of 364.85 g/mol. Its IUPAC name is 4-chloro-N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide.

Molecular Properties

• Compound Name: 4-chloro-N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide
• PubChem CID: 166375464
• Molecular Formula: C₁₇H₁₇ClN₂O₃S
• Molecular Weight: 364.85 g/mol
• Exact Mass: 364.06
• IUPAC Name: 4-chloro-N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide
• SMILES: CC1CC(=O)N(C)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc21
• InChI: InChI=1S/C17H17ClN2O3S/c1-11-9-17(21)20(2)16-8-5-13(10-15(11)16)19-24(22,23)14-6-3-12(18)4-7-14/h3-8,10-11,19H,9H2,1-2H3
• InChIKey: BCVOVBPKTFOMAV-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 66.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.85
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide?

The IUPAC name of 4-chloro-N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide (CID 166375464) is 4-chloro-N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide.

What is the SMILES notation for 4-chloro-N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide?

The canonical SMILES for 4-chloro-N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide is CC1CC(=O)N(C)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc21.

What is the InChIKey of 4-chloro-N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide?

The InChIKey is BCVOVBPKTFOMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3S/c1-11-9-17(21)20(2)16-8-5-13(10-15(11)16)19-24(22,23)14-6-3-12(18)4-7-14/h3-8,10-11,19H,9H2,1-2H3.

What are the key properties of 4-chloro-N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide?

4-chloro-N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide has a molecular weight of 364.85 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide is sourced from PubChem (CID 166375464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 166375464 — identifiers, structure, computed properties (public domain)

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