2-cyano-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide

C18H15N3O3S — CID 110414664

IUPAC2-cyano-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
SMILESCc1ccc2[nH]c(=O)c(CNS(=O)(=O)c3ccccc3C#N)cc2c1
InChIInChI=1S/C18H15N3O3S/c1-12-6-7-16-14(8-12)9-15(18(22)21-16)11-20-25(23,24)17-5-3-2-4-13(17)10-19/h2-9,20H,11H2,1H3,(H,21,22)
InChIKeySVZOMLBKTIOGCO-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.19
Rot. Bonds4

About 2-cyano-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide

2-cyano-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide (PubChem CID 110414664) has the molecular formula C18H15N3O3S and a molecular weight of 353.40 g/mol. Its IUPAC name is 2-cyano-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
PubChem CID110414664
Molecular FormulaC18H15N3O3S
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC Name2-cyano-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
SMILESCc1ccc2[nH]c(=O)c(CNS(=O)(=O)c3ccccc3C#N)cc2c1
InChIInChI=1S/C18H15N3O3S/c1-12-6-7-16-14(8-12)9-15(18(22)21-16)11-20-25(23,24)17-5-3-2-4-13(17)10-19/h2-9,20H,11H2,1H3,(H,21,22)
InChIKeySVZOMLBKTIOGCO-UHFFFAOYSA-N
XLogP2.19
TPSA102.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 110324686
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide
CID 110324721
2-cyano-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 2572565
2-cyano-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 60729128
2-cyano-N-[(2-methyl-1H-indol-3-yl)methyl]benzenesulfonamide
CID 110782386
2,5-dimethyl-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide
CID 110325922
3-[(2,6-dimethylanilino)methyl]-6-methyl-1H-quinolin-2-one
CID 25318648
4-cyclopropyl-2-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylamino]pyrimidine-5-carbonitrile
CID 146240311
2-cyano-N-prop-2-ynylbenzenesulfonamide
CID 9356113
4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 110324590
3-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 110324619
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,4-dimethylbenzenesulfonamide
CID 110325332

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-cyano-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide (CID 110414664) is 2-cyano-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-cyano-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide is Cc1ccc2[nH]c(=O)c(CNS(=O)(=O)c3ccccc3C#N)cc2c1.
What is the InChIKey of 2-cyano-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
The InChIKey is SVZOMLBKTIOGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S/c1-12-6-7-16-14(8-12)9-15(18(22)21-16)11-20-25(23,24)17-5-3-2-4-13(17)10-19/h2-9,20H,11H2,1H3,(H,21,22).
What are the key properties of 2-cyano-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
2-cyano-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide has a molecular weight of 353.40 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110414664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).