4-cyano-N-(1-ethyl-3-methyl-2-oxoquinolin-6-yl)benzenesulfonamide

C19H17N3O3S — CID 118918735

IUPAC4-cyano-N-(1-ethyl-3-methyl-2-oxoquinolin-6-yl)benzenesulfonamide
SMILESCCn1c(=O)c(C)cc2cc(NS(=O)(=O)c3ccc(C#N)cc3)ccc21
InChIInChI=1S/C19H17N3O3S/c1-3-22-18-9-6-16(11-15(18)10-13(2)19(22)23)21-26(24,25)17-7-4-14(12-20)5-8-17/h4-11,21H,3H2,1-2H3
InChIKeyXPXQVVIBBLAANE-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.00
Rot. Bonds4

About 4-cyano-N-(1-ethyl-3-methyl-2-oxoquinolin-6-yl)benzenesulfonamide

4-cyano-N-(1-ethyl-3-methyl-2-oxoquinolin-6-yl)benzenesulfonamide (PubChem CID 118918735) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 4-cyano-N-(1-ethyl-3-methyl-2-oxoquinolin-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-(1-ethyl-3-methyl-2-oxoquinolin-6-yl)benzenesulfonamide
PubChem CID118918735
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name4-cyano-N-(1-ethyl-3-methyl-2-oxoquinolin-6-yl)benzenesulfonamide
SMILESCCn1c(=O)c(C)cc2cc(NS(=O)(=O)c3ccc(C#N)cc3)ccc21
InChIInChI=1S/C19H17N3O3S/c1-3-22-18-9-6-16(11-15(18)10-13(2)19(22)23)21-26(24,25)17-7-4-14(12-20)5-8-17/h4-11,21H,3H2,1-2H3
InChIKeyXPXQVVIBBLAANE-UHFFFAOYSA-N
XLogP3.00
TPSA91.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(1-ethyl-3-methyl-2-oxoquinolin-6-yl)benzenesulfonamide?
The IUPAC name of 4-cyano-N-(1-ethyl-3-methyl-2-oxoquinolin-6-yl)benzenesulfonamide (CID 118918735) is 4-cyano-N-(1-ethyl-3-methyl-2-oxoquinolin-6-yl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-(1-ethyl-3-methyl-2-oxoquinolin-6-yl)benzenesulfonamide?
The canonical SMILES for 4-cyano-N-(1-ethyl-3-methyl-2-oxoquinolin-6-yl)benzenesulfonamide is CCn1c(=O)c(C)cc2cc(NS(=O)(=O)c3ccc(C#N)cc3)ccc21.
What is the InChIKey of 4-cyano-N-(1-ethyl-3-methyl-2-oxoquinolin-6-yl)benzenesulfonamide?
The InChIKey is XPXQVVIBBLAANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-3-22-18-9-6-16(11-15(18)10-13(2)19(22)23)21-26(24,25)17-7-4-14(12-20)5-8-17/h4-11,21H,3H2,1-2H3.
What are the key properties of 4-cyano-N-(1-ethyl-3-methyl-2-oxoquinolin-6-yl)benzenesulfonamide?
4-cyano-N-(1-ethyl-3-methyl-2-oxoquinolin-6-yl)benzenesulfonamide has a molecular weight of 367.43 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(1-ethyl-3-methyl-2-oxoquinolin-6-yl)benzenesulfonamide is sourced from PubChem (CID 118918735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).