2-isoquinolin-5-yl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide

C26H22N4O3S — CID 67700505

IUPAC2-isoquinolin-5-yl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccccc2-c2cccc3cnccc23)ccc1-n1cnc(C)c1
InChIInChI=1S/C26H22N4O3S/c1-18-16-30(17-28-18)24-11-10-20(14-25(24)33-2)29-34(31,32)26-9-4-3-7-23(26)22-8-5-6-19-15-27-13-12-21(19)22/h3-17,29H,1-2H3
InChIKeyQHDJJWFGCRSJDE-UHFFFAOYSA-N
MW470.55 g/mol
LogP5.21
Rot. Bonds6

About 2-isoquinolin-5-yl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide

2-isoquinolin-5-yl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide (PubChem CID 67700505) has the molecular formula C26H22N4O3S and a molecular weight of 470.55 g/mol. Its IUPAC name is 2-isoquinolin-5-yl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-isoquinolin-5-yl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide
PubChem CID67700505
Molecular FormulaC26H22N4O3S
Molecular Weight470.55 g/mol
Exact Mass470.14
IUPAC Name2-isoquinolin-5-yl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccccc2-c2cccc3cnccc23)ccc1-n1cnc(C)c1
InChIInChI=1S/C26H22N4O3S/c1-18-16-30(17-28-18)24-11-10-20(14-25(24)33-2)29-34(31,32)26-9-4-3-7-23(26)22-8-5-6-19-15-27-13-12-21(19)22/h3-17,29H,1-2H3
InChIKeyQHDJJWFGCRSJDE-UHFFFAOYSA-N
XLogP5.21
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.55
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-ethylphenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide
CID 67702345
2-bromo-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide
CID 67700517
N-[4-[2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]sulfamoyl]phenyl]phenyl]acetamide
CID 67809218
2-[2-chloro-4-(trifluoromethyl)phenyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide
CID 67808781
N-(4-isoquinolin-4-yl-3-methoxyphenyl)quinoline-8-sulfonamide
CID 56652996
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(4-methylphenyl)methanesulfonamide
CID 67702026
2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-5-phenylpyrimidin-4-yl]-2-phenylacetic acid
CID 68630360
N-(4-isoquinolin-4-yl-3-methoxyphenyl)pyridine-2-sulfonamide
CID 56654728
4,6-dichloro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3,5-triazin-2-amine
CID 87317448
3-methoxy-4-(4-methylimidazol-1-yl)benzenesulfonyl chloride
CID 59591064
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-phenylpurin-2-amine
CID 178075687
2-tert-butyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-indol-4-amine
CID 141273914

Frequently Asked Questions

What is the IUPAC name of 2-isoquinolin-5-yl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2-isoquinolin-5-yl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide (CID 67700505) is 2-isoquinolin-5-yl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-isoquinolin-5-yl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-isoquinolin-5-yl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide is COc1cc(NS(=O)(=O)c2ccccc2-c2cccc3cnccc23)ccc1-n1cnc(C)c1.
What is the InChIKey of 2-isoquinolin-5-yl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide?
The InChIKey is QHDJJWFGCRSJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O3S/c1-18-16-30(17-28-18)24-11-10-20(14-25(24)33-2)29-34(31,32)26-9-4-3-7-23(26)22-8-5-6-19-15-27-13-12-21(19)22/h3-17,29H,1-2H3.
What are the key properties of 2-isoquinolin-5-yl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide?
2-isoquinolin-5-yl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide has a molecular weight of 470.55 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isoquinolin-5-yl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 67700505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).