7-chloro-5-propan-2-ylsulfonylquinolin-8-ol

C12H12ClNO3S — CID 122440014

IUPAC7-chloro-5-propan-2-ylsulfonylquinolin-8-ol
SMILESCC(C)S(=O)(=O)c1cc(Cl)c(O)c2ncccc12
InChIInChI=1S/C12H12ClNO3S/c1-7(2)18(16,17)10-6-9(13)12(15)11-8(10)4-3-5-14-11/h3-7,15H,1-2H3
InChIKeyOZDSTJBBAIPCKQ-UHFFFAOYSA-N
MW285.75 g/mol
LogP2.78
Rot. Bonds2

About 7-chloro-5-propan-2-ylsulfonylquinolin-8-ol

7-chloro-5-propan-2-ylsulfonylquinolin-8-ol (PubChem CID 122440014) has the molecular formula C12H12ClNO3S and a molecular weight of 285.75 g/mol. Its IUPAC name is 7-chloro-5-propan-2-ylsulfonylquinolin-8-ol.

Molecular Properties

Compound Name7-chloro-5-propan-2-ylsulfonylquinolin-8-ol
PubChem CID122440014
Molecular FormulaC12H12ClNO3S
Molecular Weight285.75 g/mol
Exact Mass285.02
IUPAC Name7-chloro-5-propan-2-ylsulfonylquinolin-8-ol
SMILESCC(C)S(=O)(=O)c1cc(Cl)c(O)c2ncccc12
InChIInChI=1S/C12H12ClNO3S/c1-7(2)18(16,17)10-6-9(13)12(15)11-8(10)4-3-5-14-11/h3-7,15H,1-2H3
InChIKeyOZDSTJBBAIPCKQ-UHFFFAOYSA-N
XLogP2.78
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-chloro-5-propan-2-ylsulfonylquinolin-8-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-propan-2-ylsulfonylquinolin-8-ol?
The IUPAC name of 7-chloro-5-propan-2-ylsulfonylquinolin-8-ol (CID 122440014) is 7-chloro-5-propan-2-ylsulfonylquinolin-8-ol.
What is the SMILES notation for 7-chloro-5-propan-2-ylsulfonylquinolin-8-ol?
The canonical SMILES for 7-chloro-5-propan-2-ylsulfonylquinolin-8-ol is CC(C)S(=O)(=O)c1cc(Cl)c(O)c2ncccc12.
What is the InChIKey of 7-chloro-5-propan-2-ylsulfonylquinolin-8-ol?
The InChIKey is OZDSTJBBAIPCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO3S/c1-7(2)18(16,17)10-6-9(13)12(15)11-8(10)4-3-5-14-11/h3-7,15H,1-2H3.
What are the key properties of 7-chloro-5-propan-2-ylsulfonylquinolin-8-ol?
7-chloro-5-propan-2-ylsulfonylquinolin-8-ol has a molecular weight of 285.75 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-propan-2-ylsulfonylquinolin-8-ol is sourced from PubChem (CID 122440014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).