4-(2-hydroxypropan-2-yl)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide

C22H22N4O3S — CID 86694519

IUPAC4-(2-hydroxypropan-2-yl)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(C(C)(C)O)cc2)n(-c2cccc3ncccc23)n1
InChIInChI=1S/C22H22N4O3S/c1-15-14-21(25-30(28,29)17-11-9-16(10-12-17)22(2,3)27)26(24-15)20-8-4-7-19-18(20)6-5-13-23-19/h4-14,25,27H,1-3H3
InChIKeyYXARGBYKOQIJCV-UHFFFAOYSA-N
MW422.51 g/mol
LogP3.76
Rot. Bonds5

About 4-(2-hydroxypropan-2-yl)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide

4-(2-hydroxypropan-2-yl)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide (PubChem CID 86694519) has the molecular formula C22H22N4O3S and a molecular weight of 422.51 g/mol. Its IUPAC name is 4-(2-hydroxypropan-2-yl)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-hydroxypropan-2-yl)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide
PubChem CID86694519
Molecular FormulaC22H22N4O3S
Molecular Weight422.51 g/mol
Exact Mass422.14
IUPAC Name4-(2-hydroxypropan-2-yl)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(C(C)(C)O)cc2)n(-c2cccc3ncccc23)n1
InChIInChI=1S/C22H22N4O3S/c1-15-14-21(25-30(28,29)17-11-9-16(10-12-17)22(2,3)27)26(24-15)20-8-4-7-19-18(20)6-5-13-23-19/h4-14,25,27H,1-3H3
InChIKeyYXARGBYKOQIJCV-UHFFFAOYSA-N
XLogP3.76
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-tert-butyl-3-chloro-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide
CID 86694541
4-tert-butyl-N-(3-cyclopropyl-1-quinolin-5-ylpyrazol-5-yl)benzenesulfonamide
CID 86694531
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
N-[2-(2-aminoquinolin-5-yl)-5-methylpyrazol-3-yl]-4-tert-butylbenzenesulfonamide;4-tert-butyl-3-fluoro-N-[5-methyl-2-(1-oxidoquinolin-1-ium-5-yl)pyrazol-3-yl]benzenesulfonamide;4-tert-butyl-3-fluoro-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide
CID 158839306
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-tert-butyl-N-(2-isoquinolin-1-yl-5-methylpyrazol-3-yl)benzenesulfonamide
CID 71731689
4-tert-butyl-N-[3-(hydroxymethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(4-methylquinolin-5-yl)pyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-(5-methyl-2-phthalazin-5-ylpyrazol-3-yl)benzenesulfonamide;3-fluoro-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-morpholin-4-ylbenzenesulfonamide
CID 159674767
N-[2-(2-aminoquinolin-5-yl)-5-methylpyrazol-3-yl]-4-tert-butyl-3-fluorobenzenesulfonamide;4-tert-butyl-3-fluoro-N-[3-(fluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-[2-(8-fluoroquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[2-(1-hydroxyquinolin-1-ium-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide
CID 161352546
N-[2-(4-aminoisoquinolin-1-yl)-5-methylpyrazol-3-yl]-4-tert-butylbenzenesulfonamide
CID 121263878
5-[3-methyl-5-[(4-propan-2-ylphenyl)sulfonylmethyl]pyrazol-1-yl]quinoline
CID 159614813
4-methoxy-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]benzenesulfonamide
CID 108783992
N-(2,5-dimethylpyrazol-3-yl)-4-hydroxybenzenesulfonamide
CID 43318275

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxypropan-2-yl)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-(2-hydroxypropan-2-yl)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide (CID 86694519) is 4-(2-hydroxypropan-2-yl)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-(2-hydroxypropan-2-yl)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-(2-hydroxypropan-2-yl)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)O)cc2)n(-c2cccc3ncccc23)n1.
What is the InChIKey of 4-(2-hydroxypropan-2-yl)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is YXARGBYKOQIJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3S/c1-15-14-21(25-30(28,29)17-11-9-16(10-12-17)22(2,3)27)26(24-15)20-8-4-7-19-18(20)6-5-13-23-19/h4-14,25,27H,1-3H3.
What are the key properties of 4-(2-hydroxypropan-2-yl)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide?
4-(2-hydroxypropan-2-yl)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 422.51 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxypropan-2-yl)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 86694519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).