4-chloro-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyrazole-5-sulfonamide

C13H15ClN4O2S — CID 106315484

IUPAC4-chloro-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)Nc1cccc2c1CNCC2
InChIInChI=1S/C13H15ClN4O2S/c1-18-13(11(14)8-16-18)21(19,20)17-12-4-2-3-9-5-6-15-7-10(9)12/h2-4,8,15,17H,5-7H2,1H3
InChIKeyOIYMZOIWFSCFBO-UHFFFAOYSA-N
MW326.81 g/mol
LogP1.52
Rot. Bonds3

About 4-chloro-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyrazole-5-sulfonamide

4-chloro-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyrazole-5-sulfonamide (PubChem CID 106315484) has the molecular formula C13H15ClN4O2S and a molecular weight of 326.81 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyrazole-5-sulfonamide
PubChem CID106315484
Molecular FormulaC13H15ClN4O2S
Molecular Weight326.81 g/mol
Exact Mass326.06
IUPAC Name4-chloro-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)Nc1cccc2c1CNCC2
InChIInChI=1S/C13H15ClN4O2S/c1-18-13(11(14)8-16-18)21(19,20)17-12-4-2-3-9-5-6-15-7-10(9)12/h2-4,8,15,17H,5-7H2,1H3
InChIKeyOIYMZOIWFSCFBO-UHFFFAOYSA-N
XLogP1.52
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-(sulfamoylamino)-1,2,3,4-tetrahydroisoquinoline
CID 114959099
4-chloro-N-(4-hydroxy-2-methylphenyl)-1-methylpyrazole-5-sulfonamide
CID 106147360
4-chloro-N-[2-(hydroxymethyl)phenyl]-1-methylpyrazole-5-sulfonamide
CID 106314873
5-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyridine-3-sulfonamide
CID 114491132
4-chloro-N-(3-hydroxyphenyl)-1-methylpyrazole-5-sulfonamide
CID 106139079
N-(tert-butylsulfamoyl)-1,2,3,4-tetrahydroisoquinolin-8-amine
CID 114807566
N-(5-amino-2-chlorophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide
CID 106313783
N-(4-bromo-2-methylphenyl)-4-chloro-1-methylpyrazole-5-sulfonamide
CID 106139139
5-bromo-4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)thiophene-2-sulfonamide
CID 114491078
4-chloro-N-(4-cyanophenyl)-1-methylpyrazole-5-sulfonamide
CID 106139096
N-(5-amino-2-bromophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide
CID 106313884
4-bromo-3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]benzoic acid
CID 106139112

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyrazole-5-sulfonamide?
The IUPAC name of 4-chloro-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyrazole-5-sulfonamide (CID 106315484) is 4-chloro-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyrazole-5-sulfonamide.
What is the SMILES notation for 4-chloro-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyrazole-5-sulfonamide?
The canonical SMILES for 4-chloro-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyrazole-5-sulfonamide is Cn1ncc(Cl)c1S(=O)(=O)Nc1cccc2c1CNCC2.
What is the InChIKey of 4-chloro-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyrazole-5-sulfonamide?
The InChIKey is OIYMZOIWFSCFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2S/c1-18-13(11(14)8-16-18)21(19,20)17-12-4-2-3-9-5-6-15-7-10(9)12/h2-4,8,15,17H,5-7H2,1H3.
What are the key properties of 4-chloro-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyrazole-5-sulfonamide?
4-chloro-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyrazole-5-sulfonamide has a molecular weight of 326.81 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyrazole-5-sulfonamide is sourced from PubChem (CID 106315484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).