N-(2-chloro-5-isoquinolin-7-yl-3-pyridinyl)methanesulfonamide

C15H12ClN3O2S — CID 155513084

IUPACN-(2-chloro-5-isoquinolin-7-yl-3-pyridinyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(-c2ccc3ccncc3c2)cnc1Cl
InChIInChI=1S/C15H12ClN3O2S/c1-22(20,21)19-14-7-13(9-18-15(14)16)11-3-2-10-4-5-17-8-12(10)6-11/h2-9,19H,1H3
InChIKeyRMJLOSBBQUURBS-UHFFFAOYSA-N
MW333.80 g/mol
LogP3.32
Rot. Bonds3

About N-(2-chloro-5-isoquinolin-7-yl-3-pyridinyl)methanesulfonamide

N-(2-chloro-5-isoquinolin-7-yl-3-pyridinyl)methanesulfonamide (PubChem CID 155513084) has the molecular formula C15H12ClN3O2S and a molecular weight of 333.80 g/mol. Its IUPAC name is N-(2-chloro-5-isoquinolin-7-yl-3-pyridinyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-5-isoquinolin-7-yl-3-pyridinyl)methanesulfonamide
PubChem CID155513084
Molecular FormulaC15H12ClN3O2S
Molecular Weight333.80 g/mol
Exact Mass333.03
IUPAC NameN-(2-chloro-5-isoquinolin-7-yl-3-pyridinyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(-c2ccc3ccncc3c2)cnc1Cl
InChIInChI=1S/C15H12ClN3O2S/c1-22(20,21)19-14-7-13(9-18-15(14)16)11-3-2-10-4-5-17-8-12(10)6-11/h2-9,19H,1H3
InChIKeyRMJLOSBBQUURBS-UHFFFAOYSA-N
XLogP3.32
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.80
LogP ≤ 53.32
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-(2-chloro-5-quinolin-6-yl-3-pyridinyl)-4-fluorobenzenesulfonamide
CID 44609075
N-(2-chloro-5-(isoquinolin-6-yl)pyridin-3-yl)-4-fluorobenzenesulfonamide
CID 44609857
N-(2-chloro-5-pyridin-3-yl-3-pyridinyl)benzenesulfonamide
CID 87570551
N-(2-chloro-5-pyridin-4-yl-3-pyridinyl)methanesulfonamide
CID 155537016
N-(2-chloro-5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide
CID 87570433
N-[5-(4-chlorophenyl)quinolin-8-yl]methanesulfonamide
CID 155530785
1-Chloro-3-pyridin-2-yl-isoquinoline
CID 846029
N-(5-pyridin-4-ylquinolin-8-yl)methanesulfonamide
CID 118873479
N-(5-pyridin-3-ylquinolin-8-yl)methanesulfonamide
CID 118873480
N-(2-chloro-5-(3-cyano-4-((1R-phenylethyl)amino)quinolin-6-yl)pyridin-3-yl)methanesulfonamide
CID 164809094
N-(2-chloro-5-(3-cyano-4-((1S-phenylethyl)amino)quinolin-6-yl)pyridin-3-yl)methanesulfonamide
CID 164809103
1-Chloroisoquinolin-4-amine
CID 71748489

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-isoquinolin-7-yl-3-pyridinyl)methanesulfonamide?
The IUPAC name of N-(2-chloro-5-isoquinolin-7-yl-3-pyridinyl)methanesulfonamide (CID 155513084) is N-(2-chloro-5-isoquinolin-7-yl-3-pyridinyl)methanesulfonamide.
What is the SMILES notation for N-(2-chloro-5-isoquinolin-7-yl-3-pyridinyl)methanesulfonamide?
The canonical SMILES for N-(2-chloro-5-isoquinolin-7-yl-3-pyridinyl)methanesulfonamide is CS(=O)(=O)Nc1cc(-c2ccc3ccncc3c2)cnc1Cl.
What is the InChIKey of N-(2-chloro-5-isoquinolin-7-yl-3-pyridinyl)methanesulfonamide?
The InChIKey is RMJLOSBBQUURBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2S/c1-22(20,21)19-14-7-13(9-18-15(14)16)11-3-2-10-4-5-17-8-12(10)6-11/h2-9,19H,1H3.
What are the key properties of N-(2-chloro-5-isoquinolin-7-yl-3-pyridinyl)methanesulfonamide?
N-(2-chloro-5-isoquinolin-7-yl-3-pyridinyl)methanesulfonamide has a molecular weight of 333.80 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-isoquinolin-7-yl-3-pyridinyl)methanesulfonamide is sourced from PubChem (CID 155513084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).