N-(7-chloro-8-hydroxyquinolin-5-yl)-4-methylbenzenesulfonamide

C16H13ClN2O3S — CID 2140576

IUPACN-(7-chloro-8-hydroxyquinolin-5-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)c3ncccc23)cc1
InChIInChI=1S/C16H13ClN2O3S/c1-10-4-6-11(7-5-10)23(21,22)19-14-9-13(17)16(20)15-12(14)3-2-8-18-15/h2-9,19-20H,1H3
InChIKeyVNDZMSRQSGKBEY-UHFFFAOYSA-N
MW348.81 g/mol
LogP3.70
Rot. Bonds3

About N-(7-chloro-8-hydroxyquinolin-5-yl)-4-methylbenzenesulfonamide

N-(7-chloro-8-hydroxyquinolin-5-yl)-4-methylbenzenesulfonamide (PubChem CID 2140576) has the molecular formula C16H13ClN2O3S and a molecular weight of 348.81 g/mol. Its IUPAC name is N-(7-chloro-8-hydroxyquinolin-5-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(7-chloro-8-hydroxyquinolin-5-yl)-4-methylbenzenesulfonamide
PubChem CID2140576
Molecular FormulaC16H13ClN2O3S
Molecular Weight348.81 g/mol
Exact Mass348.03
IUPAC NameN-(7-chloro-8-hydroxyquinolin-5-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)c3ncccc23)cc1
InChIInChI=1S/C16H13ClN2O3S/c1-10-4-6-11(7-5-10)23(21,22)19-14-9-13(17)16(20)15-12(14)3-2-8-18-15/h2-9,19-20H,1H3
InChIKeyVNDZMSRQSGKBEY-UHFFFAOYSA-N
XLogP3.70
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-8-hydroxyquinolin-5-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(7-chloro-8-hydroxyquinolin-5-yl)-4-methylbenzenesulfonamide (CID 2140576) is N-(7-chloro-8-hydroxyquinolin-5-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(7-chloro-8-hydroxyquinolin-5-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(7-chloro-8-hydroxyquinolin-5-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)c3ncccc23)cc1.
What is the InChIKey of N-(7-chloro-8-hydroxyquinolin-5-yl)-4-methylbenzenesulfonamide?
The InChIKey is VNDZMSRQSGKBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3S/c1-10-4-6-11(7-5-10)23(21,22)19-14-9-13(17)16(20)15-12(14)3-2-8-18-15/h2-9,19-20H,1H3.
What are the key properties of N-(7-chloro-8-hydroxyquinolin-5-yl)-4-methylbenzenesulfonamide?
N-(7-chloro-8-hydroxyquinolin-5-yl)-4-methylbenzenesulfonamide has a molecular weight of 348.81 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-8-hydroxyquinolin-5-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 2140576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).