N-(4-chloroisoquinolin-6-yl)azetidine-1-sulfonamide

C12H12ClN3O2S — CID 118660859

IUPACN-(4-chloroisoquinolin-6-yl)azetidine-1-sulfonamide
SMILESO=S(=O)(Nc1ccc2cncc(Cl)c2c1)N1CCC1
InChIInChI=1S/C12H12ClN3O2S/c13-12-8-14-7-9-2-3-10(6-11(9)12)15-19(17,18)16-4-1-5-16/h2-3,6-8,15H,1,4-5H2
InChIKeyYKHHTPHCFZSOSW-UHFFFAOYSA-N
MW297.77 g/mol
LogP2.25
Rot. Bonds3

About N-(4-chloroisoquinolin-6-yl)azetidine-1-sulfonamide

N-(4-chloroisoquinolin-6-yl)azetidine-1-sulfonamide (PubChem CID 118660859) has the molecular formula C12H12ClN3O2S and a molecular weight of 297.77 g/mol. Its IUPAC name is N-(4-chloroisoquinolin-6-yl)azetidine-1-sulfonamide.

Molecular Properties

Compound NameN-(4-chloroisoquinolin-6-yl)azetidine-1-sulfonamide
PubChem CID118660859
Molecular FormulaC12H12ClN3O2S
Molecular Weight297.77 g/mol
Exact Mass297.03
IUPAC NameN-(4-chloroisoquinolin-6-yl)azetidine-1-sulfonamide
SMILESO=S(=O)(Nc1ccc2cncc(Cl)c2c1)N1CCC1
InChIInChI=1S/C12H12ClN3O2S/c13-12-8-14-7-9-2-3-10(6-11(9)12)15-19(17,18)16-4-1-5-16/h2-3,6-8,15H,1,4-5H2
InChIKeyYKHHTPHCFZSOSW-UHFFFAOYSA-N
XLogP2.25
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.77
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(4-chloroisoquinolin-6-yl)piperidin-2-one
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N-(3-aminophenyl)piperidine-1-sulfonamide
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CID 115663199
N-phenylpyrrolidine-1-sulfonamide
CID 45117555
N-(1H-indazol-6-yl)morpholine-4-sulfonamide
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N-(3-methyl-2H-indazol-6-yl)piperidine-1-sulfonamide
CID 136519694
N-(4-chloroisoquinolin-6-yl)-2-[4-[(5-chloro-2-pyridinyl)sulfamoyl]phenyl]cyclopropane-1-carboxamide
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N-(3-chloro-4-ethylphenyl)morpholine-4-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-chloroisoquinolin-6-yl)azetidine-1-sulfonamide?
The IUPAC name of N-(4-chloroisoquinolin-6-yl)azetidine-1-sulfonamide (CID 118660859) is N-(4-chloroisoquinolin-6-yl)azetidine-1-sulfonamide.
What is the SMILES notation for N-(4-chloroisoquinolin-6-yl)azetidine-1-sulfonamide?
The canonical SMILES for N-(4-chloroisoquinolin-6-yl)azetidine-1-sulfonamide is O=S(=O)(Nc1ccc2cncc(Cl)c2c1)N1CCC1.
What is the InChIKey of N-(4-chloroisoquinolin-6-yl)azetidine-1-sulfonamide?
The InChIKey is YKHHTPHCFZSOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2S/c13-12-8-14-7-9-2-3-10(6-11(9)12)15-19(17,18)16-4-1-5-16/h2-3,6-8,15H,1,4-5H2.
What are the key properties of N-(4-chloroisoquinolin-6-yl)azetidine-1-sulfonamide?
N-(4-chloroisoquinolin-6-yl)azetidine-1-sulfonamide has a molecular weight of 297.77 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloroisoquinolin-6-yl)azetidine-1-sulfonamide is sourced from PubChem (CID 118660859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).