4-chloro-N-isoquinolin-5-ylbenzenesulfonamide

C15H11ClN2O2S — CID 35538938

IUPAC4-chloro-N-isoquinolin-5-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cccc2cnccc12)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN2O2S/c16-12-4-6-13(7-5-12)21(19,20)18-15-3-1-2-11-10-17-9-8-14(11)15/h1-10,18H
InChIKeySVIHXNLSVUDCSL-UHFFFAOYSA-N
MW318.79 g/mol
LogP3.69
Rot. Bonds3

About 4-chloro-N-isoquinolin-5-ylbenzenesulfonamide

4-chloro-N-isoquinolin-5-ylbenzenesulfonamide (PubChem CID 35538938) has the molecular formula C15H11ClN2O2S and a molecular weight of 318.79 g/mol. Its IUPAC name is 4-chloro-N-isoquinolin-5-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-isoquinolin-5-ylbenzenesulfonamide
PubChem CID35538938
Molecular FormulaC15H11ClN2O2S
Molecular Weight318.79 g/mol
Exact Mass318.02
IUPAC Name4-chloro-N-isoquinolin-5-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cccc2cnccc12)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN2O2S/c16-12-4-6-13(7-5-12)21(19,20)18-15-3-1-2-11-10-17-9-8-14(11)15/h1-10,18H
InChIKeySVIHXNLSVUDCSL-UHFFFAOYSA-N
XLogP3.69
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.79
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-Aminoethyl)-5-chloro-8-isoquinolinesulfonamide
CID 129236
N-(Quinolin-8-yl)benzenesulfonamide
CID 161167
4-(3-Quinolinyl)-Benzenesulfonamide
CID 122707123
[(4-Chloronaphthyl)sulfonyl](3-pyridylmethyl)amine
CID 671595
9-chloro-5H-6-thia-4,5-diaza-chrysene 6,6-dioxide
CID 16759933
N-(2-chloro-5-phenyl-3-pyridinyl)benzenesulfonamide
CID 25266674
N1-{3-[2-(2-pyridyl)ethyl]phenyl}-4-chlorobenzene-1-sulfonamide
CID 2807131
Substituted phenylsulfonyltryptamine, 11f
CID 23655462
6-chloro-N-ethyl-N-naphthalen-1-ylpyridine-3-sulfonamide
CID 1236939
N1-{3-[2-(2-pyridyl)ethyl]phenyl}-2,5-dichlorobenzene-1-sulfonamide
CID 2807133
6-chloro-N-(2,4-dimethylphenyl)pyridine-3-sulfonamide
CID 4729873
N-(4-chlorobenzyl)quinoline-8-sulfonamide
CID 16195529

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-isoquinolin-5-ylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-isoquinolin-5-ylbenzenesulfonamide (CID 35538938) is 4-chloro-N-isoquinolin-5-ylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-isoquinolin-5-ylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-isoquinolin-5-ylbenzenesulfonamide is O=S(=O)(Nc1cccc2cnccc12)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-isoquinolin-5-ylbenzenesulfonamide?
The InChIKey is SVIHXNLSVUDCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2S/c16-12-4-6-13(7-5-12)21(19,20)18-15-3-1-2-11-10-17-9-8-14(11)15/h1-10,18H.
What are the key properties of 4-chloro-N-isoquinolin-5-ylbenzenesulfonamide?
4-chloro-N-isoquinolin-5-ylbenzenesulfonamide has a molecular weight of 318.79 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-isoquinolin-5-ylbenzenesulfonamide is sourced from PubChem (CID 35538938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).