2-chloro-N-(5-chloro-6-isoquinolin-3-yloxy-3-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide

C21H12Cl2F3N3O3S — CID 24852476

IUPAC2-chloro-N-(5-chloro-6-isoquinolin-3-yloxy-3-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cnc(Oc2cc3ccccc3cn2)c(Cl)c1)c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C21H12Cl2F3N3O3S/c22-16-8-14(21(24,25)26)5-6-18(16)33(30,31)29-15-9-17(23)20(28-11-15)32-19-7-12-3-1-2-4-13(12)10-27-19/h1-11,29H
InChIKeyGGLOWKLJQFGKOL-UHFFFAOYSA-N
MW514.31 g/mol
LogP6.55
Rot. Bonds5

About 2-chloro-N-(5-chloro-6-isoquinolin-3-yloxy-3-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide

2-chloro-N-(5-chloro-6-isoquinolin-3-yloxy-3-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 24852476) has the molecular formula C21H12Cl2F3N3O3S and a molecular weight of 514.31 g/mol. Its IUPAC name is 2-chloro-N-(5-chloro-6-isoquinolin-3-yloxy-3-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(5-chloro-6-isoquinolin-3-yloxy-3-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide
PubChem CID24852476
Molecular FormulaC21H12Cl2F3N3O3S
Molecular Weight514.31 g/mol
Exact Mass512.99
IUPAC Name2-chloro-N-(5-chloro-6-isoquinolin-3-yloxy-3-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cnc(Oc2cc3ccccc3cn2)c(Cl)c1)c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C21H12Cl2F3N3O3S/c22-16-8-14(21(24,25)26)5-6-18(16)33(30,31)29-15-9-17(23)20(28-11-15)32-19-7-12-3-1-2-4-13(12)10-27-19/h1-11,29H
InChIKeyGGLOWKLJQFGKOL-UHFFFAOYSA-N
XLogP6.55
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.31
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-(5-chloro-6-isoquinolin-3-yloxy-3-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide 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-(5-chloro-6-isoquinolin-3-yloxy-3-pyridinyl)-2,4,6-trimethylbenzenesulfonamide
CID 24852247
2-chloro-N-[3-chloro-5-[(6-methoxy-1,3-benzothiazol-2-yl)oxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 18511523
2-chloro-N-[3,5-dichloro-4-[(6-methoxy-1-benzothiophen-2-yl)oxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 87328528
2-chloro-N-[3-(pyridin-2-ylmethoxy)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 43069632
2-chloro-N-[3-chloro-5-[(5-cyano-1,3-benzothiazol-2-yl)oxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 18511626
2-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 139601759
N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-2,5-dimethoxybenzenesulfonamide
CID 71462063
2-chloro-N-[3,5-dichloro-4-[(6-methyl-1,3-benzothiazol-2-yl)amino]phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 10188069
2-chloro-N-[3,5-dichloro-4-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 10121544
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide
CID 3759506
2-chloro-N-[3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]propyl]benzenesulfonamide
CID 68545429
3-chloro-2-(2-iodophenoxy)-5-(trifluoromethyl)pyridine
CID 63529961

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-chloro-6-isoquinolin-3-yloxy-3-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(5-chloro-6-isoquinolin-3-yloxy-3-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide (CID 24852476) is 2-chloro-N-(5-chloro-6-isoquinolin-3-yloxy-3-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(5-chloro-6-isoquinolin-3-yloxy-3-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(5-chloro-6-isoquinolin-3-yloxy-3-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1cnc(Oc2cc3ccccc3cn2)c(Cl)c1)c1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-chloro-N-(5-chloro-6-isoquinolin-3-yloxy-3-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is GGLOWKLJQFGKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12Cl2F3N3O3S/c22-16-8-14(21(24,25)26)5-6-18(16)33(30,31)29-15-9-17(23)20(28-11-15)32-19-7-12-3-1-2-4-13(12)10-27-19/h1-11,29H.
What are the key properties of 2-chloro-N-(5-chloro-6-isoquinolin-3-yloxy-3-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide?
2-chloro-N-(5-chloro-6-isoquinolin-3-yloxy-3-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 514.31 g/mol, XLogP of 6.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-chloro-6-isoquinolin-3-yloxy-3-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 24852476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).