6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-isoquinolin-1-ylphenyl)pyridine-3-sulfonamide

C26H24ClN5O3S — CID 70933736

IUPAC6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-isoquinolin-1-ylphenyl)pyridine-3-sulfonamide
SMILESCC(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccc(Cl)c(-c4nccc5ccccc45)c3)cn2)CC1
InChIInChI=1S/C26H24ClN5O3S/c1-18(33)31-12-14-32(15-13-31)25-9-7-21(17-29-25)36(34,35)30-20-6-8-24(27)23(16-20)26-22-5-3-2-4-19(22)10-11-28-26/h2-11,16-17,30H,12-15H2,1H3
InChIKeyUHJYSQBAKBZFQV-UHFFFAOYSA-N
MW522.03 g/mol
LogP4.42
Rot. Bonds5

About 6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-isoquinolin-1-ylphenyl)pyridine-3-sulfonamide

6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-isoquinolin-1-ylphenyl)pyridine-3-sulfonamide (PubChem CID 70933736) has the molecular formula C26H24ClN5O3S and a molecular weight of 522.03 g/mol. Its IUPAC name is 6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-isoquinolin-1-ylphenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-isoquinolin-1-ylphenyl)pyridine-3-sulfonamide
PubChem CID70933736
Molecular FormulaC26H24ClN5O3S
Molecular Weight522.03 g/mol
Exact Mass521.13
IUPAC Name6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-isoquinolin-1-ylphenyl)pyridine-3-sulfonamide
SMILESCC(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccc(Cl)c(-c4nccc5ccccc45)c3)cn2)CC1
InChIInChI=1S/C26H24ClN5O3S/c1-18(33)31-12-14-32(15-13-31)25-9-7-21(17-29-25)36(34,35)30-20-6-8-24(27)23(16-20)26-22-5-3-2-4-19(22)10-11-28-26/h2-11,16-17,30H,12-15H2,1H3
InChIKeyUHJYSQBAKBZFQV-UHFFFAOYSA-N
XLogP4.42
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.03
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-isoquinolin-1-ylphenyl)pyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chloro-3-isoquinolin-1-ylphenyl)-6-piperazin-1-ylpyridine-3-sulfonamide
CID 70933734
N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzenesulfonamide
CID 90129962
N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzenesulfonamide
CID 123931262
2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzenesulfonamide
CID 90129948
2-acetamido-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-methylsulfonylbenzamide
CID 70933669
N-[3-[(4-chloro-3-isoquinolin-1-ylphenyl)carbamothioylamino]phenyl]acetamide
CID 89113603
1-[4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 3000054
N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]thiophene-2-sulfonamide
CID 113011285
N-(4-chloro-3-isoquinolin-1-ylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 70933882
N-(4-chloro-3-isoquinolin-1-ylphenyl)-3-methylthiophene-2-carboxamide
CID 70933654
N-(4-chloro-3-isoquinolin-1-ylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 70933679
N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-5-methylthiophene-2-sulfonamide
CID 113011286

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-isoquinolin-1-ylphenyl)pyridine-3-sulfonamide?
The IUPAC name of 6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-isoquinolin-1-ylphenyl)pyridine-3-sulfonamide (CID 70933736) is 6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-isoquinolin-1-ylphenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-isoquinolin-1-ylphenyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-isoquinolin-1-ylphenyl)pyridine-3-sulfonamide is CC(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccc(Cl)c(-c4nccc5ccccc45)c3)cn2)CC1.
What is the InChIKey of 6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-isoquinolin-1-ylphenyl)pyridine-3-sulfonamide?
The InChIKey is UHJYSQBAKBZFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN5O3S/c1-18(33)31-12-14-32(15-13-31)25-9-7-21(17-29-25)36(34,35)30-20-6-8-24(27)23(16-20)26-22-5-3-2-4-19(22)10-11-28-26/h2-11,16-17,30H,12-15H2,1H3.
What are the key properties of 6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-isoquinolin-1-ylphenyl)pyridine-3-sulfonamide?
6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-isoquinolin-1-ylphenyl)pyridine-3-sulfonamide has a molecular weight of 522.03 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-isoquinolin-1-ylphenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 70933736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).