N-(6-chloro-2-pyridinyl)isoquinoline-5-sulfonamide

C14H10ClN3O2S — CID 104821384

IUPACN-(6-chloro-2-pyridinyl)isoquinoline-5-sulfonamide
SMILESO=S(=O)(Nc1cccc(Cl)n1)c1cccc2cnccc12
InChIInChI=1S/C14H10ClN3O2S/c15-13-5-2-6-14(17-13)18-21(19,20)12-4-1-3-10-9-16-8-7-11(10)12/h1-9H,(H,17,18)
InChIKeyUOWJXJNVIMUOPU-UHFFFAOYSA-N
MW319.77 g/mol
LogP3.08
Rot. Bonds3

About N-(6-chloro-2-pyridinyl)isoquinoline-5-sulfonamide

N-(6-chloro-2-pyridinyl)isoquinoline-5-sulfonamide (PubChem CID 104821384) has the molecular formula C14H10ClN3O2S and a molecular weight of 319.77 g/mol. Its IUPAC name is N-(6-chloro-2-pyridinyl)isoquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-(6-chloro-2-pyridinyl)isoquinoline-5-sulfonamide
PubChem CID104821384
Molecular FormulaC14H10ClN3O2S
Molecular Weight319.77 g/mol
Exact Mass319.02
IUPAC NameN-(6-chloro-2-pyridinyl)isoquinoline-5-sulfonamide
SMILESO=S(=O)(Nc1cccc(Cl)n1)c1cccc2cnccc12
InChIInChI=1S/C14H10ClN3O2S/c15-13-5-2-6-14(17-13)18-21(19,20)12-4-1-3-10-9-16-8-7-11(10)12/h1-9H,(H,17,18)
InChIKeyUOWJXJNVIMUOPU-UHFFFAOYSA-N
XLogP3.08
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.77
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(4-tert-butyl-2-chlorophenyl)isoquinoline-5-sulfonamide
CID 3817645
2,3-dichloro-N-(6-chloro-2-pyridinyl)benzenesulfonamide
CID 113456961
N-(3-tert-butyl-1-methylpyrazol-5-yl)isoquinoline-5-sulfonamide
CID 25048684
N-(3,4,5-trifluorophenyl)isoquinoline-5-sulfonamide
CID 25049723
N-(2-chloropyrimidin-4-yl)naphthalene-1-sulfonamide
CID 114795856
N-(2-aminocyclopropyl)isoquinoline-5-sulfonamide
CID 43597051
2-hydroxy-N-isoquinolin-5-ylbenzenesulfonamide
CID 81235485
N-[(2R)-3,3-dimethylbutan-2-yl]isoquinoline-5-sulfonamide
CID 25040448
N-(6-chloro-2-pyridinyl)-2,5-dimethylthiophene-3-sulfonamide
CID 104821321
isoquinoline-5-sulfonamide;trihydrochloride
CID 140968257
3-(isoquinolin-5-ylsulfonylamino)-2-methylbenzoic acid
CID 131962177
N-(3-aminopropyl)isoquinoline-5-sulfonamide
CID 14326791

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-pyridinyl)isoquinoline-5-sulfonamide?
The IUPAC name of N-(6-chloro-2-pyridinyl)isoquinoline-5-sulfonamide (CID 104821384) is N-(6-chloro-2-pyridinyl)isoquinoline-5-sulfonamide.
What is the SMILES notation for N-(6-chloro-2-pyridinyl)isoquinoline-5-sulfonamide?
The canonical SMILES for N-(6-chloro-2-pyridinyl)isoquinoline-5-sulfonamide is O=S(=O)(Nc1cccc(Cl)n1)c1cccc2cnccc12.
What is the InChIKey of N-(6-chloro-2-pyridinyl)isoquinoline-5-sulfonamide?
The InChIKey is UOWJXJNVIMUOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2S/c15-13-5-2-6-14(17-13)18-21(19,20)12-4-1-3-10-9-16-8-7-11(10)12/h1-9H,(H,17,18).
What are the key properties of N-(6-chloro-2-pyridinyl)isoquinoline-5-sulfonamide?
N-(6-chloro-2-pyridinyl)isoquinoline-5-sulfonamide has a molecular weight of 319.77 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-pyridinyl)isoquinoline-5-sulfonamide is sourced from PubChem (CID 104821384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).