3-tert-butyl-N-(2-methylquinolin-4-yl)-1-phenylpyrazole-4-sulfonamide

C23H24N4O2S — CID 42284784

IUPAC3-tert-butyl-N-(2-methylquinolin-4-yl)-1-phenylpyrazole-4-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cn(-c3ccccc3)nc2C(C)(C)C)c2ccccc2n1
InChIInChI=1S/C23H24N4O2S/c1-16-14-20(18-12-8-9-13-19(18)24-16)26-30(28,29)21-15-27(17-10-6-5-7-11-17)25-22(21)23(2,3)4/h5-15H,1-4H3,(H,24,26)
InChIKeyKCSRGYDOYUINFF-UHFFFAOYSA-N
MW420.54 g/mol
LogP4.83
Rot. Bonds4

About 3-tert-butyl-N-(2-methylquinolin-4-yl)-1-phenylpyrazole-4-sulfonamide

3-tert-butyl-N-(2-methylquinolin-4-yl)-1-phenylpyrazole-4-sulfonamide (PubChem CID 42284784) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is 3-tert-butyl-N-(2-methylquinolin-4-yl)-1-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-tert-butyl-N-(2-methylquinolin-4-yl)-1-phenylpyrazole-4-sulfonamide
PubChem CID42284784
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC Name3-tert-butyl-N-(2-methylquinolin-4-yl)-1-phenylpyrazole-4-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cn(-c3ccccc3)nc2C(C)(C)C)c2ccccc2n1
InChIInChI=1S/C23H24N4O2S/c1-16-14-20(18-12-8-9-13-19(18)24-16)26-30(28,29)21-15-27(17-10-6-5-7-11-17)25-22(21)23(2,3)4/h5-15H,1-4H3,(H,24,26)
InChIKeyKCSRGYDOYUINFF-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

Analyze 3-tert-butyl-N-(2-methylquinolin-4-yl)-1-phenylpyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-tert-butyl-N-(2-methylphenyl)-1-phenylpyrazole-4-sulfonamide
CID 42284724
1-benzyl-3-tert-butyl-N-(2-methylquinolin-4-yl)pyrazole-4-sulfonamide
CID 42284512
3-tert-butyl-N-naphthalen-1-yl-1-phenylpyrazole-4-sulfonamide
CID 42284757
3-tert-butyl-N-(2,5-dimethylphenyl)-1-phenylpyrazole-4-sulfonamide
CID 42284771
N-(4-bromo-2-methylphenyl)-3-tert-butyl-1-phenylpyrazole-4-sulfonamide
CID 42284781
3-tert-butyl-N-(2,4-difluorophenyl)-1-phenylpyrazole-4-sulfonamide
CID 42344915
3-tert-butyl-1-phenyl-N-(2,3,4-trifluorophenyl)pyrazole-4-sulfonamide
CID 42344987
3-tert-butyl-N-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-sulfonamide
CID 42284776
N-(4-bromo-3-methylphenyl)-3-tert-butyl-1-phenylpyrazole-4-sulfonamide
CID 42284783
N-(2,6-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283357
N-(2-ethylphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283313
1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonylpiperidine
CID 42284578

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-(2-methylquinolin-4-yl)-1-phenylpyrazole-4-sulfonamide?
The IUPAC name of 3-tert-butyl-N-(2-methylquinolin-4-yl)-1-phenylpyrazole-4-sulfonamide (CID 42284784) is 3-tert-butyl-N-(2-methylquinolin-4-yl)-1-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-tert-butyl-N-(2-methylquinolin-4-yl)-1-phenylpyrazole-4-sulfonamide?
The canonical SMILES for 3-tert-butyl-N-(2-methylquinolin-4-yl)-1-phenylpyrazole-4-sulfonamide is Cc1cc(NS(=O)(=O)c2cn(-c3ccccc3)nc2C(C)(C)C)c2ccccc2n1.
What is the InChIKey of 3-tert-butyl-N-(2-methylquinolin-4-yl)-1-phenylpyrazole-4-sulfonamide?
The InChIKey is KCSRGYDOYUINFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-16-14-20(18-12-8-9-13-19(18)24-16)26-30(28,29)21-15-27(17-10-6-5-7-11-17)25-22(21)23(2,3)4/h5-15H,1-4H3,(H,24,26).
What are the key properties of 3-tert-butyl-N-(2-methylquinolin-4-yl)-1-phenylpyrazole-4-sulfonamide?
3-tert-butyl-N-(2-methylquinolin-4-yl)-1-phenylpyrazole-4-sulfonamide 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 3-tert-butyl-N-(2-methylquinolin-4-yl)-1-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 42284784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).