4-tert-butyl-N-(2-isoquinolin-1-yl-5-methylpyrazol-3-yl)benzenesulfonamide

C23H24N4O2S — CID 71731689

IUPAC4-tert-butyl-N-(2-isoquinolin-1-yl-5-methylpyrazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2nccc3ccccc23)n1
InChIInChI=1S/C23H24N4O2S/c1-16-15-21(26-30(28,29)19-11-9-18(10-12-19)23(2,3)4)27(25-16)22-20-8-6-5-7-17(20)13-14-24-22/h5-15,26H,1-4H3
InChIKeyIXEPFVNCVWAELZ-UHFFFAOYSA-N
MW420.54 g/mol
LogP4.83
Rot. Bonds4

About 4-tert-butyl-N-(2-isoquinolin-1-yl-5-methylpyrazol-3-yl)benzenesulfonamide

4-tert-butyl-N-(2-isoquinolin-1-yl-5-methylpyrazol-3-yl)benzenesulfonamide (PubChem CID 71731689) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-isoquinolin-1-yl-5-methylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2-isoquinolin-1-yl-5-methylpyrazol-3-yl)benzenesulfonamide
PubChem CID71731689
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC Name4-tert-butyl-N-(2-isoquinolin-1-yl-5-methylpyrazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2nccc3ccccc23)n1
InChIInChI=1S/C23H24N4O2S/c1-16-15-21(26-30(28,29)19-11-9-18(10-12-19)23(2,3)4)27(25-16)22-20-8-6-5-7-17(20)13-14-24-22/h5-15,26H,1-4H3
InChIKeyIXEPFVNCVWAELZ-UHFFFAOYSA-N
XLogP4.83
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-aminoisoquinolin-1-yl)-5-methylpyrazol-3-yl]-4-tert-butylbenzenesulfonamide
CID 121263878
N-(2-benzyl-5-methylpyrazol-3-yl)-4-tert-butylbenzenesulfonamide
CID 39854251
4-(2-hydroxypropan-2-yl)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide
CID 86694519
4-tert-butyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683562
4-methoxy-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]benzenesulfonamide
CID 108783992
4-tert-butyl-N-[3-[5-methyl-5-[4-[(5-methyl-2-quinolin-5-ylpyrazol-3-yl)sulfamoyl]phenoxy]hexan-2-yl]-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide
CID 123421884
4-tert-butyl-3-chloro-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide
CID 86694541
4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)sulfamoyl]benzoic acid
CID 108783886
N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-4-methylbenzenesulfonamide
CID 2426865
4-tert-butyl-N-(2-isoquinolin-5-yl-5-methylpyrazol-3-yl)benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(2-methylquinolin-5-yl)pyrazol-3-yl]benzenesulfonamide;4-(2-methylpropoxy)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-propan-2-yloxybenzenesulfonamide
CID 158062843
4-(2-methylbutan-2-yl)-N-pyridin-2-ylbenzenesulfonamide
CID 3809998
N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-4-methoxybenzenesulfonamide
CID 108781451

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-isoquinolin-1-yl-5-methylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-(2-isoquinolin-1-yl-5-methylpyrazol-3-yl)benzenesulfonamide (CID 71731689) is 4-tert-butyl-N-(2-isoquinolin-1-yl-5-methylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-(2-isoquinolin-1-yl-5-methylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-(2-isoquinolin-1-yl-5-methylpyrazol-3-yl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2nccc3ccccc23)n1.
What is the InChIKey of 4-tert-butyl-N-(2-isoquinolin-1-yl-5-methylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is IXEPFVNCVWAELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-16-15-21(26-30(28,29)19-11-9-18(10-12-19)23(2,3)4)27(25-16)22-20-8-6-5-7-17(20)13-14-24-22/h5-15,26H,1-4H3.
What are the key properties of 4-tert-butyl-N-(2-isoquinolin-1-yl-5-methylpyrazol-3-yl)benzenesulfonamide?
4-tert-butyl-N-(2-isoquinolin-1-yl-5-methylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 420.54 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-isoquinolin-1-yl-5-methylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 71731689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).