N-isoquinolin-5-yl-5-methyl-1H-pyrazole-4-sulfonamide

C13H12N4O2S — CID 60911353

IUPACN-isoquinolin-5-yl-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)Nc1cccc2cnccc12
InChIInChI=1S/C13H12N4O2S/c1-9-13(8-15-16-9)20(18,19)17-12-4-2-3-10-7-14-6-5-11(10)12/h2-8,17H,1H3,(H,15,16)
InChIKeySGQJJYCJJDLBOF-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.07
Rot. Bonds3

About N-isoquinolin-5-yl-5-methyl-1H-pyrazole-4-sulfonamide

N-isoquinolin-5-yl-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 60911353) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is N-isoquinolin-5-yl-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-isoquinolin-5-yl-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID60911353
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC NameN-isoquinolin-5-yl-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)Nc1cccc2cnccc12
InChIInChI=1S/C13H12N4O2S/c1-9-13(8-15-16-9)20(18,19)17-12-4-2-3-10-7-14-6-5-11(10)12/h2-8,17H,1H3,(H,15,16)
InChIKeySGQJJYCJJDLBOF-UHFFFAOYSA-N
XLogP2.07
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-3-pyridinyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 83167318
2-hydroxy-N-isoquinolin-5-ylbenzenesulfonamide
CID 81235485
2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzenesulfonyl fluoride
CID 116814332
N-(2-methoxyphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929959
2-methyl-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid
CID 61275775
N-[2-(1-chloroethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 65031617
N-(2-cyanophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54930145
3-(isoquinolin-5-ylsulfonylamino)-2-methylbenzoic acid
CID 131962177
5-methyl-N-[2-(methylaminomethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 60910701
5-methyl-N-(2-propan-2-yloxyphenyl)-1H-pyrazole-4-sulfonamide
CID 61274811
N-methylisoquinolin-5-amine;hydrochloride
CID 135905265
N-(2-methylphenyl)isoquinoline-8-sulfonamide
CID 167968996

Frequently Asked Questions

What is the IUPAC name of N-isoquinolin-5-yl-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-isoquinolin-5-yl-5-methyl-1H-pyrazole-4-sulfonamide (CID 60911353) is N-isoquinolin-5-yl-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-isoquinolin-5-yl-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-isoquinolin-5-yl-5-methyl-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)Nc1cccc2cnccc12.
What is the InChIKey of N-isoquinolin-5-yl-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is SGQJJYCJJDLBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c1-9-13(8-15-16-9)20(18,19)17-12-4-2-3-10-7-14-6-5-11(10)12/h2-8,17H,1H3,(H,15,16).
What are the key properties of N-isoquinolin-5-yl-5-methyl-1H-pyrazole-4-sulfonamide?
N-isoquinolin-5-yl-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 288.33 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-isoquinolin-5-yl-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60911353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).