4-chloro-N-(6-chloroisoquinolin-8-yl)benzenesulfonamide

C15H10Cl2N2O2S — CID 134243574

IUPAC4-chloro-N-(6-chloroisoquinolin-8-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)cc2ccncc12)c1ccc(Cl)cc1
InChIInChI=1S/C15H10Cl2N2O2S/c16-11-1-3-13(4-2-11)22(20,21)19-15-8-12(17)7-10-5-6-18-9-14(10)15/h1-9,19H
InChIKeyROEDKTRKBRJPMX-UHFFFAOYSA-N
MW353.23 g/mol
LogP4.34
Rot. Bonds3

About 4-chloro-N-(6-chloroisoquinolin-8-yl)benzenesulfonamide

4-chloro-N-(6-chloroisoquinolin-8-yl)benzenesulfonamide (PubChem CID 134243574) has the molecular formula C15H10Cl2N2O2S and a molecular weight of 353.23 g/mol. Its IUPAC name is 4-chloro-N-(6-chloroisoquinolin-8-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(6-chloroisoquinolin-8-yl)benzenesulfonamide
PubChem CID134243574
Molecular FormulaC15H10Cl2N2O2S
Molecular Weight353.23 g/mol
Exact Mass351.98
IUPAC Name4-chloro-N-(6-chloroisoquinolin-8-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)cc2ccncc12)c1ccc(Cl)cc1
InChIInChI=1S/C15H10Cl2N2O2S/c16-11-1-3-13(4-2-11)22(20,21)19-15-8-12(17)7-10-5-6-18-9-14(10)15/h1-9,19H
InChIKeyROEDKTRKBRJPMX-UHFFFAOYSA-N
XLogP4.34
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.23
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(6-chloroisoquinolin-8-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(6-chloroisoquinolin-8-yl)benzenesulfonamide (CID 134243574) is 4-chloro-N-(6-chloroisoquinolin-8-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(6-chloroisoquinolin-8-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(6-chloroisoquinolin-8-yl)benzenesulfonamide is O=S(=O)(Nc1cc(Cl)cc2ccncc12)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(6-chloroisoquinolin-8-yl)benzenesulfonamide?
The InChIKey is ROEDKTRKBRJPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O2S/c16-11-1-3-13(4-2-11)22(20,21)19-15-8-12(17)7-10-5-6-18-9-14(10)15/h1-9,19H.
What are the key properties of 4-chloro-N-(6-chloroisoquinolin-8-yl)benzenesulfonamide?
4-chloro-N-(6-chloroisoquinolin-8-yl)benzenesulfonamide has a molecular weight of 353.23 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(6-chloroisoquinolin-8-yl)benzenesulfonamide is sourced from PubChem (CID 134243574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).