N-(5,7-dichloroquinolin-8-yl)-4-methylbenzenesulfonamide

C16H12Cl2N2O2S — CID 1070163

IUPACN-(5,7-dichloroquinolin-8-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(Cl)cc(Cl)c3cccnc23)cc1
InChIInChI=1S/C16H12Cl2N2O2S/c1-10-4-6-11(7-5-10)23(21,22)20-16-14(18)9-13(17)12-3-2-8-19-15(12)16/h2-9,20H,1H3
InChIKeyUAQOINWXYOCOGS-UHFFFAOYSA-N
MW367.26 g/mol
LogP4.65
Rot. Bonds3

About N-(5,7-dichloroquinolin-8-yl)-4-methylbenzenesulfonamide

N-(5,7-dichloroquinolin-8-yl)-4-methylbenzenesulfonamide (PubChem CID 1070163) has the molecular formula C16H12Cl2N2O2S and a molecular weight of 367.26 g/mol. Its IUPAC name is N-(5,7-dichloroquinolin-8-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5,7-dichloroquinolin-8-yl)-4-methylbenzenesulfonamide
PubChem CID1070163
Molecular FormulaC16H12Cl2N2O2S
Molecular Weight367.26 g/mol
Exact Mass366.00
IUPAC NameN-(5,7-dichloroquinolin-8-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(Cl)cc(Cl)c3cccnc23)cc1
InChIInChI=1S/C16H12Cl2N2O2S/c1-10-4-6-11(7-5-10)23(21,22)20-16-14(18)9-13(17)12-3-2-8-19-15(12)16/h2-9,20H,1H3
InChIKeyUAQOINWXYOCOGS-UHFFFAOYSA-N
XLogP4.65
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.26
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5,7-dichloroquinolin-8-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(5,7-dichloroquinolin-8-yl)-4-methylbenzenesulfonamide (CID 1070163) is N-(5,7-dichloroquinolin-8-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(5,7-dichloroquinolin-8-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(5,7-dichloroquinolin-8-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2c(Cl)cc(Cl)c3cccnc23)cc1.
What is the InChIKey of N-(5,7-dichloroquinolin-8-yl)-4-methylbenzenesulfonamide?
The InChIKey is UAQOINWXYOCOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O2S/c1-10-4-6-11(7-5-10)23(21,22)20-16-14(18)9-13(17)12-3-2-8-19-15(12)16/h2-9,20H,1H3.
What are the key properties of N-(5,7-dichloroquinolin-8-yl)-4-methylbenzenesulfonamide?
N-(5,7-dichloroquinolin-8-yl)-4-methylbenzenesulfonamide has a molecular weight of 367.26 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,7-dichloroquinolin-8-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 1070163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).