3-tert-butyl-N-naphthalen-1-yl-1-phenylpyrazole-4-sulfonamide

C23H23N3O2S — CID 42284757

IUPAC3-tert-butyl-N-naphthalen-1-yl-1-phenylpyrazole-4-sulfonamide
SMILESCC(C)(C)c1nn(-c2ccccc2)cc1S(=O)(=O)Nc1cccc2ccccc12
InChIInChI=1S/C23H23N3O2S/c1-23(2,3)22-21(16-26(24-22)18-12-5-4-6-13-18)29(27,28)25-20-15-9-11-17-10-7-8-14-19(17)20/h4-16,25H,1-3H3
InChIKeyXRXDJTHTZNJFJY-UHFFFAOYSA-N
MW405.52 g/mol
LogP5.12
Rot. Bonds4

About 3-tert-butyl-N-naphthalen-1-yl-1-phenylpyrazole-4-sulfonamide

3-tert-butyl-N-naphthalen-1-yl-1-phenylpyrazole-4-sulfonamide (PubChem CID 42284757) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is 3-tert-butyl-N-naphthalen-1-yl-1-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-tert-butyl-N-naphthalen-1-yl-1-phenylpyrazole-4-sulfonamide
PubChem CID42284757
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC Name3-tert-butyl-N-naphthalen-1-yl-1-phenylpyrazole-4-sulfonamide
SMILESCC(C)(C)c1nn(-c2ccccc2)cc1S(=O)(=O)Nc1cccc2ccccc12
InChIInChI=1S/C23H23N3O2S/c1-23(2,3)22-21(16-26(24-22)18-12-5-4-6-13-18)29(27,28)25-20-15-9-11-17-10-7-8-14-19(17)20/h4-16,25H,1-3H3
InChIKeyXRXDJTHTZNJFJY-UHFFFAOYSA-N
XLogP5.12
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.52
LogP ≤ 55.12
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
3-tert-butyl-N-(2-methylquinolin-4-yl)-1-phenylpyrazole-4-sulfonamide
CID 42284784
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-1-phenyl-N-(2,3,4-trifluorophenyl)pyrazole-4-sulfonamide
CID 42344987
3-tert-butyl-N-(2,4-difluorophenyl)-1-phenylpyrazole-4-sulfonamide
CID 42344915
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-ethylphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283313
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
1-benzyl-3-tert-butyl-N-(2-methylquinolin-4-yl)pyrazole-4-sulfonamide
CID 42284512

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-naphthalen-1-yl-1-phenylpyrazole-4-sulfonamide?
The IUPAC name of 3-tert-butyl-N-naphthalen-1-yl-1-phenylpyrazole-4-sulfonamide (CID 42284757) is 3-tert-butyl-N-naphthalen-1-yl-1-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-tert-butyl-N-naphthalen-1-yl-1-phenylpyrazole-4-sulfonamide?
The canonical SMILES for 3-tert-butyl-N-naphthalen-1-yl-1-phenylpyrazole-4-sulfonamide is CC(C)(C)c1nn(-c2ccccc2)cc1S(=O)(=O)Nc1cccc2ccccc12.
What is the InChIKey of 3-tert-butyl-N-naphthalen-1-yl-1-phenylpyrazole-4-sulfonamide?
The InChIKey is XRXDJTHTZNJFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c1-23(2,3)22-21(16-26(24-22)18-12-5-4-6-13-18)29(27,28)25-20-15-9-11-17-10-7-8-14-19(17)20/h4-16,25H,1-3H3.
What are the key properties of 3-tert-butyl-N-naphthalen-1-yl-1-phenylpyrazole-4-sulfonamide?
3-tert-butyl-N-naphthalen-1-yl-1-phenylpyrazole-4-sulfonamide has a molecular weight of 405.52 g/mol, XLogP of 5.12, 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-naphthalen-1-yl-1-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 42284757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).