N-(4-isoquinolin-4-yl-3-methoxyphenyl)pyridine-2-sulfonamide

C21H17N3O3S — CID 56654728

IUPACN-(4-isoquinolin-4-yl-3-methoxyphenyl)pyridine-2-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccccn2)ccc1-c1cncc2ccccc12
InChIInChI=1S/C21H17N3O3S/c1-27-20-12-16(24-28(25,26)21-8-4-5-11-23-21)9-10-18(20)19-14-22-13-15-6-2-3-7-17(15)19/h2-14,24H,1H3
InChIKeySFFHDFTXFGOHOD-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.11
Rot. Bonds5

About N-(4-isoquinolin-4-yl-3-methoxyphenyl)pyridine-2-sulfonamide

N-(4-isoquinolin-4-yl-3-methoxyphenyl)pyridine-2-sulfonamide (PubChem CID 56654728) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-(4-isoquinolin-4-yl-3-methoxyphenyl)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(4-isoquinolin-4-yl-3-methoxyphenyl)pyridine-2-sulfonamide
PubChem CID56654728
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC NameN-(4-isoquinolin-4-yl-3-methoxyphenyl)pyridine-2-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccccn2)ccc1-c1cncc2ccccc12
InChIInChI=1S/C21H17N3O3S/c1-27-20-12-16(24-28(25,26)21-8-4-5-11-23-21)9-10-18(20)19-14-22-13-15-6-2-3-7-17(15)19/h2-14,24H,1H3
InChIKeySFFHDFTXFGOHOD-UHFFFAOYSA-N
XLogP4.11
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-isoquinolin-4-yl-3-methoxyphenyl)quinoline-8-sulfonamide
CID 56652996
N-[3-methoxy-4-(4-methyl-3-pyridinyl)phenyl]-1-benzofuran-2-sulfonamide
CID 56651977
2-isoquinolin-5-yl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide
CID 67700505
N-[3-methoxy-4-(4-methyl-3-pyridinyl)phenyl]-2,4-dimethylbenzenesulfonamide
CID 66714010
N-(3-ethylphenyl)pyridine-2-sulfonamide
CID 67565790
N-(3,4-dimethoxyphenyl)pyridine-3-sulfonamide
CID 25048223
N-[4-(4-methoxy-3-pyridinyl)-3-(trifluoromethoxy)phenyl]sulfamoyl chloride
CID 88584101
N-(4-chloro-3-methoxyphenyl)-3-hydrazinylpyridine-2-sulfonamide
CID 107622147
8-methoxy-N-(4-methoxyphenyl)quinoline-5-sulfonamide
CID 729403
N-[4-bromo-2-(2-isoquinolin-4-ylethynyl)phenyl]-5-methoxyquinoline-8-sulfonamide
CID 175843235
N-[2-(pyridin-2-ylsulfonylamino)phenyl]pyridine-2-sulfonamide
CID 132544567
2-isoquinolin-4-yl-6-methoxy-N,N-di(propan-2-yl)benzamide
CID 39781804

Frequently Asked Questions

What is the IUPAC name of N-(4-isoquinolin-4-yl-3-methoxyphenyl)pyridine-2-sulfonamide?
The IUPAC name of N-(4-isoquinolin-4-yl-3-methoxyphenyl)pyridine-2-sulfonamide (CID 56654728) is N-(4-isoquinolin-4-yl-3-methoxyphenyl)pyridine-2-sulfonamide.
What is the SMILES notation for N-(4-isoquinolin-4-yl-3-methoxyphenyl)pyridine-2-sulfonamide?
The canonical SMILES for N-(4-isoquinolin-4-yl-3-methoxyphenyl)pyridine-2-sulfonamide is COc1cc(NS(=O)(=O)c2ccccn2)ccc1-c1cncc2ccccc12.
What is the InChIKey of N-(4-isoquinolin-4-yl-3-methoxyphenyl)pyridine-2-sulfonamide?
The InChIKey is SFFHDFTXFGOHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c1-27-20-12-16(24-28(25,26)21-8-4-5-11-23-21)9-10-18(20)19-14-22-13-15-6-2-3-7-17(15)19/h2-14,24H,1H3.
What are the key properties of N-(4-isoquinolin-4-yl-3-methoxyphenyl)pyridine-2-sulfonamide?
N-(4-isoquinolin-4-yl-3-methoxyphenyl)pyridine-2-sulfonamide has a molecular weight of 391.45 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-isoquinolin-4-yl-3-methoxyphenyl)pyridine-2-sulfonamide is sourced from PubChem (CID 56654728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).