N-[5-(3,5-dimethoxyphenyl)quinolin-8-yl]pyridine-2-sulfonamide

C22H19N3O4S — CID 155564267

IUPACN-[5-(3,5-dimethoxyphenyl)quinolin-8-yl]pyridine-2-sulfonamide
SMILESCOc1cc(OC)cc(-c2ccc(NS(=O)(=O)c3ccccn3)c3ncccc23)c1
InChIInChI=1S/C22H19N3O4S/c1-28-16-12-15(13-17(14-16)29-2)18-8-9-20(22-19(18)6-5-11-24-22)25-30(26,27)21-7-3-4-10-23-21/h3-14,25H,1-2H3
InChIKeyXOESTEWXERVDDA-UHFFFAOYSA-N
MW421.48 g/mol
LogP4.11
Rot. Bonds6

About N-[5-(3,5-dimethoxyphenyl)quinolin-8-yl]pyridine-2-sulfonamide

N-[5-(3,5-dimethoxyphenyl)quinolin-8-yl]pyridine-2-sulfonamide (PubChem CID 155564267) has the molecular formula C22H19N3O4S and a molecular weight of 421.48 g/mol. Its IUPAC name is N-[5-(3,5-dimethoxyphenyl)quinolin-8-yl]pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[5-(3,5-dimethoxyphenyl)quinolin-8-yl]pyridine-2-sulfonamide
PubChem CID155564267
Molecular FormulaC22H19N3O4S
Molecular Weight421.48 g/mol
Exact Mass421.11
IUPAC NameN-[5-(3,5-dimethoxyphenyl)quinolin-8-yl]pyridine-2-sulfonamide
SMILESCOc1cc(OC)cc(-c2ccc(NS(=O)(=O)c3ccccn3)c3ncccc23)c1
InChIInChI=1S/C22H19N3O4S/c1-28-16-12-15(13-17(14-16)29-2)18-8-9-20(22-19(18)6-5-11-24-22)25-30(26,27)21-7-3-4-10-23-21/h3-14,25H,1-2H3
InChIKeyXOESTEWXERVDDA-UHFFFAOYSA-N
XLogP4.11
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-Methoxy-8-quinolinyl)-4-methylbenzenesulfonamide
CID 130606
N-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]benzenesulfonamide
CID 25128110
N-(6-methoxyquinolin-8-yl)naphthalene-2-sulfonamide
CID 1327568
9-methoxy-5H-6-thia-4,5-diaza-chrysene 6,6-dioxide
CID 16759954
4-methoxy-N-(5-pyridin-3-ylquinolin-8-yl)benzenesulfonamide
CID 118873471
2,4-dimethoxy-N-(6-methoxy-3-pyridinyl)-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]benzenesulfonamide
CID 44581268
Glyoxalase I inhibitor 2
CID 155540175
N-[5-(3-chloro-4-methoxyphenyl)quinolin-8-yl]pyridine-2-sulfonamide
CID 155562765
N-[5-(4-methoxyphenyl)quinolin-8-yl]pyridine-2-sulfonamide
CID 155563395
N-(6-methoxyquinolin-8-yl)benzenesulfonamide
CID 821430
4-methoxy-N-(quinolin-8-yl)benzene-1-sulfonamide
CID 4215345
3-Methoxy-N-quinolin-8-yl-benzenesulfonamide
CID 68183385

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-dimethoxyphenyl)quinolin-8-yl]pyridine-2-sulfonamide?
The IUPAC name of N-[5-(3,5-dimethoxyphenyl)quinolin-8-yl]pyridine-2-sulfonamide (CID 155564267) is N-[5-(3,5-dimethoxyphenyl)quinolin-8-yl]pyridine-2-sulfonamide.
What is the SMILES notation for N-[5-(3,5-dimethoxyphenyl)quinolin-8-yl]pyridine-2-sulfonamide?
The canonical SMILES for N-[5-(3,5-dimethoxyphenyl)quinolin-8-yl]pyridine-2-sulfonamide is COc1cc(OC)cc(-c2ccc(NS(=O)(=O)c3ccccn3)c3ncccc23)c1.
What is the InChIKey of N-[5-(3,5-dimethoxyphenyl)quinolin-8-yl]pyridine-2-sulfonamide?
The InChIKey is XOESTEWXERVDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4S/c1-28-16-12-15(13-17(14-16)29-2)18-8-9-20(22-19(18)6-5-11-24-22)25-30(26,27)21-7-3-4-10-23-21/h3-14,25H,1-2H3.
What are the key properties of N-[5-(3,5-dimethoxyphenyl)quinolin-8-yl]pyridine-2-sulfonamide?
N-[5-(3,5-dimethoxyphenyl)quinolin-8-yl]pyridine-2-sulfonamide has a molecular weight of 421.48 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-dimethoxyphenyl)quinolin-8-yl]pyridine-2-sulfonamide is sourced from PubChem (CID 155564267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).