3-tert-butyl-N-(2,5-dimethylphenyl)-1-phenylpyrazole-4-sulfonamide

C21H25N3O2S — CID 42284771

IUPAC3-tert-butyl-N-(2,5-dimethylphenyl)-1-phenylpyrazole-4-sulfonamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2cn(-c3ccccc3)nc2C(C)(C)C)c1
InChIInChI=1S/C21H25N3O2S/c1-15-11-12-16(2)18(13-15)23-27(25,26)19-14-24(17-9-7-6-8-10-17)22-20(19)21(3,4)5/h6-14,23H,1-5H3
InChIKeyMHFBSPJXURVTFD-UHFFFAOYSA-N
MW383.52 g/mol
LogP4.59
Rot. Bonds4

About 3-tert-butyl-N-(2,5-dimethylphenyl)-1-phenylpyrazole-4-sulfonamide

3-tert-butyl-N-(2,5-dimethylphenyl)-1-phenylpyrazole-4-sulfonamide (PubChem CID 42284771) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is 3-tert-butyl-N-(2,5-dimethylphenyl)-1-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-tert-butyl-N-(2,5-dimethylphenyl)-1-phenylpyrazole-4-sulfonamide
PubChem CID42284771
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC Name3-tert-butyl-N-(2,5-dimethylphenyl)-1-phenylpyrazole-4-sulfonamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2cn(-c3ccccc3)nc2C(C)(C)C)c1
InChIInChI=1S/C21H25N3O2S/c1-15-11-12-16(2)18(13-15)23-27(25,26)19-14-24(17-9-7-6-8-10-17)22-20(19)21(3,4)5/h6-14,23H,1-5H3
InChIKeyMHFBSPJXURVTFD-UHFFFAOYSA-N
XLogP4.59
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-tert-butyl-N-(2-methylphenyl)-1-phenylpyrazole-4-sulfonamide
CID 42284724
N-(4-bromo-2-methylphenyl)-3-tert-butyl-1-phenylpyrazole-4-sulfonamide
CID 42284781
3-tert-butyl-N-(2-methylquinolin-4-yl)-1-phenylpyrazole-4-sulfonamide
CID 42284784
3-tert-butyl-N-(2,4-difluorophenyl)-1-phenylpyrazole-4-sulfonamide
CID 42344915
3-tert-butyl-N-naphthalen-1-yl-1-phenylpyrazole-4-sulfonamide
CID 42284757
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-(2,5-dimethylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22773697
N-(2,6-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283357
3-tert-butyl-N-[2-(3-methoxyphenyl)ethyl]-1-phenylpyrazole-4-sulfonamide
CID 42344985
N-(2-ethylphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283313

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-(2,5-dimethylphenyl)-1-phenylpyrazole-4-sulfonamide?
The IUPAC name of 3-tert-butyl-N-(2,5-dimethylphenyl)-1-phenylpyrazole-4-sulfonamide (CID 42284771) is 3-tert-butyl-N-(2,5-dimethylphenyl)-1-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-tert-butyl-N-(2,5-dimethylphenyl)-1-phenylpyrazole-4-sulfonamide?
The canonical SMILES for 3-tert-butyl-N-(2,5-dimethylphenyl)-1-phenylpyrazole-4-sulfonamide is Cc1ccc(C)c(NS(=O)(=O)c2cn(-c3ccccc3)nc2C(C)(C)C)c1.
What is the InChIKey of 3-tert-butyl-N-(2,5-dimethylphenyl)-1-phenylpyrazole-4-sulfonamide?
The InChIKey is MHFBSPJXURVTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c1-15-11-12-16(2)18(13-15)23-27(25,26)19-14-24(17-9-7-6-8-10-17)22-20(19)21(3,4)5/h6-14,23H,1-5H3.
What are the key properties of 3-tert-butyl-N-(2,5-dimethylphenyl)-1-phenylpyrazole-4-sulfonamide?
3-tert-butyl-N-(2,5-dimethylphenyl)-1-phenylpyrazole-4-sulfonamide has a molecular weight of 383.52 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-(2,5-dimethylphenyl)-1-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 42284771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).