4-chloro-N-(8-hydroxyquinolin-5-yl)benzenesulfonamide

C15H11ClN2O3S — CID 2318680

IUPAC4-chloro-N-(8-hydroxyquinolin-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(O)c2ncccc12)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN2O3S/c16-10-3-5-11(6-4-10)22(20,21)18-13-7-8-14(19)15-12(13)2-1-9-17-15/h1-9,18-19H
InChIKeyCRAOGBGVUYSBBJ-UHFFFAOYSA-N
MW334.78 g/mol
LogP3.39
Rot. Bonds3

About 4-chloro-N-(8-hydroxyquinolin-5-yl)benzenesulfonamide

4-chloro-N-(8-hydroxyquinolin-5-yl)benzenesulfonamide (PubChem CID 2318680) has the molecular formula C15H11ClN2O3S and a molecular weight of 334.78 g/mol. Its IUPAC name is 4-chloro-N-(8-hydroxyquinolin-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(8-hydroxyquinolin-5-yl)benzenesulfonamide
PubChem CID2318680
Molecular FormulaC15H11ClN2O3S
Molecular Weight334.78 g/mol
Exact Mass334.02
IUPAC Name4-chloro-N-(8-hydroxyquinolin-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(O)c2ncccc12)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN2O3S/c16-10-3-5-11(6-4-10)22(20,21)18-13-7-8-14(19)15-12(13)2-1-9-17-15/h1-9,18-19H
InChIKeyCRAOGBGVUYSBBJ-UHFFFAOYSA-N
XLogP3.39
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 53.39
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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Related Compounds

N-(8-aminoquinolin-5-yl)benzenesulfonamide
CID 104826550
4-chloro-N-pyrimidin-2-ylbenzenesulfonamide
CID 935725
4-chloro-N-[2-[2-[(4-chlorophenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 3366097
4-chloro-N-(3-chloro-2-pyridinyl)benzenesulfonamide
CID 103886271
6,8-dihydroxy-N-(5-hydroxyquinolin-8-yl)-5-methylnaphthalene-2-sulfonamide
CID 135733675
N-(8-chloroquinolin-5-yl)-1H-pyrazole-5-sulfonamide
CID 102692686
N-(4-chloro-2-hydroxyphenyl)-3-fluoropyridine-2-sulfonamide
CID 103300750
8-hydroxyquinoline-5-sulfonate
CID 5260546
N-[5-[(2,5-dichlorophenyl)diazenyl]quinolin-8-yl]benzenesulfonamide
CID 91717870
4-(4-chloroanilino)quinolin-8-ol
CID 152720293
N-(5-bromoquinolin-8-yl)-4-methylbenzenesulfonamide
CID 1380885
4-chloro-N-(3-chloro-2-hydroxyphenyl)benzenesulfonamide
CID 78995718

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(8-hydroxyquinolin-5-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(8-hydroxyquinolin-5-yl)benzenesulfonamide (CID 2318680) is 4-chloro-N-(8-hydroxyquinolin-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(8-hydroxyquinolin-5-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(8-hydroxyquinolin-5-yl)benzenesulfonamide is O=S(=O)(Nc1ccc(O)c2ncccc12)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(8-hydroxyquinolin-5-yl)benzenesulfonamide?
The InChIKey is CRAOGBGVUYSBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O3S/c16-10-3-5-11(6-4-10)22(20,21)18-13-7-8-14(19)15-12(13)2-1-9-17-15/h1-9,18-19H.
What are the key properties of 4-chloro-N-(8-hydroxyquinolin-5-yl)benzenesulfonamide?
4-chloro-N-(8-hydroxyquinolin-5-yl)benzenesulfonamide has a molecular weight of 334.78 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(8-hydroxyquinolin-5-yl)benzenesulfonamide is sourced from PubChem (CID 2318680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).