N-(5-chloroquinolin-8-yl)benzenesulfonamide

C15H11ClN2O2S — CID 3596728

IUPACN-(5-chloroquinolin-8-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)c2cccnc12)c1ccccc1
InChIInChI=1S/C15H11ClN2O2S/c16-13-8-9-14(15-12(13)7-4-10-17-15)18-21(19,20)11-5-2-1-3-6-11/h1-10,18H
InChIKeyBPPBVOICFJALNK-UHFFFAOYSA-N
MW318.79 g/mol
LogP3.69
Rot. Bonds3

About N-(5-chloroquinolin-8-yl)benzenesulfonamide

N-(5-chloroquinolin-8-yl)benzenesulfonamide (PubChem CID 3596728) has the molecular formula C15H11ClN2O2S and a molecular weight of 318.79 g/mol. Its IUPAC name is N-(5-chloroquinolin-8-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloroquinolin-8-yl)benzenesulfonamide
PubChem CID3596728
Molecular FormulaC15H11ClN2O2S
Molecular Weight318.79 g/mol
Exact Mass318.02
IUPAC NameN-(5-chloroquinolin-8-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)c2cccnc12)c1ccccc1
InChIInChI=1S/C15H11ClN2O2S/c16-13-8-9-14(15-12(13)7-4-10-17-15)18-21(19,20)11-5-2-1-3-6-11/h1-10,18H
InChIKeyBPPBVOICFJALNK-UHFFFAOYSA-N
XLogP3.69
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.79
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloroquinolin-8-yl)benzenesulfonamide?
The IUPAC name of N-(5-chloroquinolin-8-yl)benzenesulfonamide (CID 3596728) is N-(5-chloroquinolin-8-yl)benzenesulfonamide.
What is the SMILES notation for N-(5-chloroquinolin-8-yl)benzenesulfonamide?
The canonical SMILES for N-(5-chloroquinolin-8-yl)benzenesulfonamide is O=S(=O)(Nc1ccc(Cl)c2cccnc12)c1ccccc1.
What is the InChIKey of N-(5-chloroquinolin-8-yl)benzenesulfonamide?
The InChIKey is BPPBVOICFJALNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2S/c16-13-8-9-14(15-12(13)7-4-10-17-15)18-21(19,20)11-5-2-1-3-6-11/h1-10,18H.
What are the key properties of N-(5-chloroquinolin-8-yl)benzenesulfonamide?
N-(5-chloroquinolin-8-yl)benzenesulfonamide has a molecular weight of 318.79 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloroquinolin-8-yl)benzenesulfonamide is sourced from PubChem (CID 3596728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).