N-[6-(3-cyanophenoxy)quinolin-8-yl]-4-methylbenzenesulfonamide

C23H17N3O3S — CID 118873484

IUPACN-[6-(3-cyanophenoxy)quinolin-8-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(Oc3cccc(C#N)c3)cc3cccnc23)cc1
InChIInChI=1S/C23H17N3O3S/c1-16-7-9-21(10-8-16)30(27,28)26-22-14-20(13-18-5-3-11-25-23(18)22)29-19-6-2-4-17(12-19)15-24/h2-14,26H,1H3
InChIKeyIRGRJLCAWLZOOO-UHFFFAOYSA-N
MW415.47 g/mol
LogP5.01
Rot. Bonds5

About N-[6-(3-cyanophenoxy)quinolin-8-yl]-4-methylbenzenesulfonamide

N-[6-(3-cyanophenoxy)quinolin-8-yl]-4-methylbenzenesulfonamide (PubChem CID 118873484) has the molecular formula C23H17N3O3S and a molecular weight of 415.47 g/mol. Its IUPAC name is N-[6-(3-cyanophenoxy)quinolin-8-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(3-cyanophenoxy)quinolin-8-yl]-4-methylbenzenesulfonamide
PubChem CID118873484
Molecular FormulaC23H17N3O3S
Molecular Weight415.47 g/mol
Exact Mass415.10
IUPAC NameN-[6-(3-cyanophenoxy)quinolin-8-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(Oc3cccc(C#N)c3)cc3cccnc23)cc1
InChIInChI=1S/C23H17N3O3S/c1-16-7-9-21(10-8-16)30(27,28)26-22-14-20(13-18-5-3-11-25-23(18)22)29-19-6-2-4-17(12-19)15-24/h2-14,26H,1H3
InChIKeyIRGRJLCAWLZOOO-UHFFFAOYSA-N
XLogP5.01
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.47
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-Methoxy-8-quinolinyl)-4-methylbenzenesulfonamide
CID 130606
6-Methoxy-3-methyl-4-phenoxy-8-(piperazin-1-yl)quinoline
CID 59017478
N-(5-methoxyquinolin-8-yl)naphthalene-2-sulfonamide
CID 1096078
N-(6-methoxyquinolin-8-yl)naphthalene-2-sulfonamide
CID 1327568
2-Amino-N-(6-methoxy-quinolin-8-yl)-4-methyl-benzenesulfonamide
CID 16759911
11-methoxy-3,9-dimethyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
CID 16759937
9-methoxy-5H-6-thia-4,5-diaza-chrysene 6,6-dioxide
CID 16759954
N-[6-(4-methoxyphenoxy)quinolin-8-yl]-4-methylbenzenesulfonamide
CID 118873478
N-[6-(3,5-difluorophenoxy)quinolin-8-yl]-4-methylbenzenesulfonamide
CID 118873481
Zinquin
CID 132933
N1-Cyclohexyl-N4-(5-methoxyquinolin-8-YL)-N1-methylbenzene-1,4-disulfonamide
CID 23607696
N-[[4-(dimethylamino)phenyl]methyl]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]naphthalene-1-sulfonamide
CID 42724231

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-cyanophenoxy)quinolin-8-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[6-(3-cyanophenoxy)quinolin-8-yl]-4-methylbenzenesulfonamide (CID 118873484) is N-[6-(3-cyanophenoxy)quinolin-8-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[6-(3-cyanophenoxy)quinolin-8-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[6-(3-cyanophenoxy)quinolin-8-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(Oc3cccc(C#N)c3)cc3cccnc23)cc1.
What is the InChIKey of N-[6-(3-cyanophenoxy)quinolin-8-yl]-4-methylbenzenesulfonamide?
The InChIKey is IRGRJLCAWLZOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O3S/c1-16-7-9-21(10-8-16)30(27,28)26-22-14-20(13-18-5-3-11-25-23(18)22)29-19-6-2-4-17(12-19)15-24/h2-14,26H,1H3.
What are the key properties of N-[6-(3-cyanophenoxy)quinolin-8-yl]-4-methylbenzenesulfonamide?
N-[6-(3-cyanophenoxy)quinolin-8-yl]-4-methylbenzenesulfonamide has a molecular weight of 415.47 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-cyanophenoxy)quinolin-8-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 118873484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).