N-(5-chloro-6-isoquinolin-3-yloxy-3-pyridinyl)-2,4,6-trimethylbenzenesulfonamide

C23H20ClN3O3S — CID 24852247

IUPACN-(5-chloro-6-isoquinolin-3-yloxy-3-pyridinyl)-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cnc(Oc3cc4ccccc4cn3)c(Cl)c2)c(C)c1
InChIInChI=1S/C23H20ClN3O3S/c1-14-8-15(2)22(16(3)9-14)31(28,29)27-19-11-20(24)23(26-13-19)30-21-10-17-6-4-5-7-18(17)12-25-21/h4-13,27H,1-3H3
InChIKeyILOLNGWDSKSMIW-UHFFFAOYSA-N
MW453.95 g/mol
LogP5.80
Rot. Bonds5

About N-(5-chloro-6-isoquinolin-3-yloxy-3-pyridinyl)-2,4,6-trimethylbenzenesulfonamide

N-(5-chloro-6-isoquinolin-3-yloxy-3-pyridinyl)-2,4,6-trimethylbenzenesulfonamide (PubChem CID 24852247) has the molecular formula C23H20ClN3O3S and a molecular weight of 453.95 g/mol. Its IUPAC name is N-(5-chloro-6-isoquinolin-3-yloxy-3-pyridinyl)-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-6-isoquinolin-3-yloxy-3-pyridinyl)-2,4,6-trimethylbenzenesulfonamide
PubChem CID24852247
Molecular FormulaC23H20ClN3O3S
Molecular Weight453.95 g/mol
Exact Mass453.09
IUPAC NameN-(5-chloro-6-isoquinolin-3-yloxy-3-pyridinyl)-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cnc(Oc3cc4ccccc4cn3)c(Cl)c2)c(C)c1
InChIInChI=1S/C23H20ClN3O3S/c1-14-8-15(2)22(16(3)9-14)31(28,29)27-19-11-20(24)23(26-13-19)30-21-10-17-6-4-5-7-18(17)12-25-21/h4-13,27H,1-3H3
InChIKeyILOLNGWDSKSMIW-UHFFFAOYSA-N
XLogP5.80
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.95
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-6-isoquinolin-3-yloxy-3-pyridinyl)-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-(5-chloro-6-isoquinolin-3-yloxy-3-pyridinyl)-2,4,6-trimethylbenzenesulfonamide (CID 24852247) is N-(5-chloro-6-isoquinolin-3-yloxy-3-pyridinyl)-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-(5-chloro-6-isoquinolin-3-yloxy-3-pyridinyl)-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-(5-chloro-6-isoquinolin-3-yloxy-3-pyridinyl)-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2cnc(Oc3cc4ccccc4cn3)c(Cl)c2)c(C)c1.
What is the InChIKey of N-(5-chloro-6-isoquinolin-3-yloxy-3-pyridinyl)-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is ILOLNGWDSKSMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O3S/c1-14-8-15(2)22(16(3)9-14)31(28,29)27-19-11-20(24)23(26-13-19)30-21-10-17-6-4-5-7-18(17)12-25-21/h4-13,27H,1-3H3.
What are the key properties of N-(5-chloro-6-isoquinolin-3-yloxy-3-pyridinyl)-2,4,6-trimethylbenzenesulfonamide?
N-(5-chloro-6-isoquinolin-3-yloxy-3-pyridinyl)-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 453.95 g/mol, XLogP of 5.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-6-isoquinolin-3-yloxy-3-pyridinyl)-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 24852247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).