2-hydroxy-N-isoquinolin-5-ylbenzenesulfonamide

C15H12N2O3S — CID 81235485

IUPAC2-hydroxy-N-isoquinolin-5-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cccc2cnccc12)c1ccccc1O
InChIInChI=1S/C15H12N2O3S/c18-14-6-1-2-7-15(14)21(19,20)17-13-5-3-4-11-10-16-9-8-12(11)13/h1-10,17-18H
InChIKeyAOHCVVYBBLMLML-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.74
Rot. Bonds3

About 2-hydroxy-N-isoquinolin-5-ylbenzenesulfonamide

2-hydroxy-N-isoquinolin-5-ylbenzenesulfonamide (PubChem CID 81235485) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-hydroxy-N-isoquinolin-5-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-hydroxy-N-isoquinolin-5-ylbenzenesulfonamide
PubChem CID81235485
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Name2-hydroxy-N-isoquinolin-5-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cccc2cnccc12)c1ccccc1O
InChIInChI=1S/C15H12N2O3S/c18-14-6-1-2-7-15(14)21(19,20)17-13-5-3-4-11-10-16-9-8-12(11)13/h1-10,17-18H
InChIKeyAOHCVVYBBLMLML-UHFFFAOYSA-N
XLogP2.74
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-isoquinolin-5-yl-5-methyl-1H-pyrazole-4-sulfonamide
CID 60911353
2-hydroxy-N-quinolin-8-ylbenzenesulfonamide
CID 1380884
3-(isoquinolin-5-ylsulfonylamino)-2-methylbenzoic acid
CID 131962177
2,4-difluoro-N-isoquinolin-5-ylbenzenesulfonamide;N-isoquinolin-5-ylnaphthalene-2-sulfonamide
CID 161272162
N-(2-methylphenyl)isoquinoline-8-sulfonamide
CID 167968996
N-[2-[[(E)-3-phenylprop-2-enyl]amino]phenyl]isoquinoline-5-sulfonamide
CID 15678683
N-(4-methyl-3-pyridinyl)naphthalene-1-sulfonamide
CID 115685376
isoquinoline-5-sulfonamide;trihydrochloride
CID 140968257
N-methylisoquinolin-5-amine;hydrochloride
CID 135905265
N-(4-tert-butyl-2-chlorophenyl)isoquinoline-5-sulfonamide
CID 3817645
N-(6-chloro-2-pyridinyl)isoquinoline-5-sulfonamide
CID 104821384
N-(2-bromo-4-propan-2-ylphenyl)isoquinoline-5-sulfonamide
CID 3573164

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-isoquinolin-5-ylbenzenesulfonamide?
The IUPAC name of 2-hydroxy-N-isoquinolin-5-ylbenzenesulfonamide (CID 81235485) is 2-hydroxy-N-isoquinolin-5-ylbenzenesulfonamide.
What is the SMILES notation for 2-hydroxy-N-isoquinolin-5-ylbenzenesulfonamide?
The canonical SMILES for 2-hydroxy-N-isoquinolin-5-ylbenzenesulfonamide is O=S(=O)(Nc1cccc2cnccc12)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-isoquinolin-5-ylbenzenesulfonamide?
The InChIKey is AOHCVVYBBLMLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c18-14-6-1-2-7-15(14)21(19,20)17-13-5-3-4-11-10-16-9-8-12(11)13/h1-10,17-18H.
What are the key properties of 2-hydroxy-N-isoquinolin-5-ylbenzenesulfonamide?
2-hydroxy-N-isoquinolin-5-ylbenzenesulfonamide has a molecular weight of 300.34 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-isoquinolin-5-ylbenzenesulfonamide is sourced from PubChem (CID 81235485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).