7-chloro-5-(4-methylphenyl)sulfonylquinolin-8-ol

C16H12ClNO3S — CID 122441945

IUPAC7-chloro-5-(4-methylphenyl)sulfonylquinolin-8-ol
SMILESCc1ccc(S(=O)(=O)c2cc(Cl)c(O)c3ncccc23)cc1
InChIInChI=1S/C16H12ClNO3S/c1-10-4-6-11(7-5-10)22(20,21)14-9-13(17)16(19)15-12(14)3-2-8-18-15/h2-9,19H,1H3
InChIKeyKVRFOWUPRJDLSD-UHFFFAOYSA-N
MW333.80 g/mol
LogP3.74
Rot. Bonds2

About 7-chloro-5-(4-methylphenyl)sulfonylquinolin-8-ol

7-chloro-5-(4-methylphenyl)sulfonylquinolin-8-ol (PubChem CID 122441945) has the molecular formula C16H12ClNO3S and a molecular weight of 333.80 g/mol. Its IUPAC name is 7-chloro-5-(4-methylphenyl)sulfonylquinolin-8-ol.

Molecular Properties

Compound Name7-chloro-5-(4-methylphenyl)sulfonylquinolin-8-ol
PubChem CID122441945
Molecular FormulaC16H12ClNO3S
Molecular Weight333.80 g/mol
Exact Mass333.02
IUPAC Name7-chloro-5-(4-methylphenyl)sulfonylquinolin-8-ol
SMILESCc1ccc(S(=O)(=O)c2cc(Cl)c(O)c3ncccc23)cc1
InChIInChI=1S/C16H12ClNO3S/c1-10-4-6-11(7-5-10)22(20,21)14-9-13(17)16(19)15-12(14)3-2-8-18-15/h2-9,19H,1H3
InChIKeyKVRFOWUPRJDLSD-UHFFFAOYSA-N
XLogP3.74
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.80
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(4-methylphenyl)sulfonylquinolin-8-ol?
The IUPAC name of 7-chloro-5-(4-methylphenyl)sulfonylquinolin-8-ol (CID 122441945) is 7-chloro-5-(4-methylphenyl)sulfonylquinolin-8-ol.
What is the SMILES notation for 7-chloro-5-(4-methylphenyl)sulfonylquinolin-8-ol?
The canonical SMILES for 7-chloro-5-(4-methylphenyl)sulfonylquinolin-8-ol is Cc1ccc(S(=O)(=O)c2cc(Cl)c(O)c3ncccc23)cc1.
What is the InChIKey of 7-chloro-5-(4-methylphenyl)sulfonylquinolin-8-ol?
The InChIKey is KVRFOWUPRJDLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO3S/c1-10-4-6-11(7-5-10)22(20,21)14-9-13(17)16(19)15-12(14)3-2-8-18-15/h2-9,19H,1H3.
What are the key properties of 7-chloro-5-(4-methylphenyl)sulfonylquinolin-8-ol?
7-chloro-5-(4-methylphenyl)sulfonylquinolin-8-ol has a molecular weight of 333.80 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(4-methylphenyl)sulfonylquinolin-8-ol is sourced from PubChem (CID 122441945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).