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

C21H25N3O4S — CID 42284776

IUPAC3-tert-butyl-N-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cn(-c3ccccc3)nc2C(C)(C)C)c(OC)c1
InChIInChI=1S/C21H25N3O4S/c1-21(2,3)20-19(14-24(22-20)15-9-7-6-8-10-15)29(25,26)23-17-12-11-16(27-4)13-18(17)28-5/h6-14,23H,1-5H3
InChIKeyCFLIQITXNQYNNV-UHFFFAOYSA-N
MW415.52 g/mol
LogP3.99
Rot. Bonds6

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

3-tert-butyl-N-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-sulfonamide (PubChem CID 42284776) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is 3-tert-butyl-N-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-tert-butyl-N-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-sulfonamide
PubChem CID42284776
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC Name3-tert-butyl-N-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cn(-c3ccccc3)nc2C(C)(C)C)c(OC)c1
InChIInChI=1S/C21H25N3O4S/c1-21(2,3)20-19(14-24(22-20)15-9-7-6-8-10-15)29(25,26)23-17-12-11-16(27-4)13-18(17)28-5/h6-14,23H,1-5H3
InChIKeyCFLIQITXNQYNNV-UHFFFAOYSA-N
XLogP3.99
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-(2,5-dimethylphenyl)-1-phenylpyrazole-4-sulfonamide
CID 42284771
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-naphthalen-1-yl-1-phenylpyrazole-4-sulfonamide
CID 42284757
3-tert-butyl-N-[2-(3-methoxyphenyl)ethyl]-1-phenylpyrazole-4-sulfonamide
CID 42344985
3-tert-butyl-N-(2-methylquinolin-4-yl)-1-phenylpyrazole-4-sulfonamide
CID 42284784
N-(2,4-dimethoxyphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 17376527
3-tert-butyl-N-(2-methoxyphenyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 42283900
N-(4-bromo-3-methylphenyl)-3-tert-butyl-1-phenylpyrazole-4-sulfonamide
CID 42284783
N-(2,4-dimethoxyphenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113098643

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-sulfonamide?
The IUPAC name of 3-tert-butyl-N-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-sulfonamide (CID 42284776) is 3-tert-butyl-N-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-tert-butyl-N-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-sulfonamide?
The canonical SMILES for 3-tert-butyl-N-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-sulfonamide is COc1ccc(NS(=O)(=O)c2cn(-c3ccccc3)nc2C(C)(C)C)c(OC)c1.
What is the InChIKey of 3-tert-butyl-N-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-sulfonamide?
The InChIKey is CFLIQITXNQYNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-21(2,3)20-19(14-24(22-20)15-9-7-6-8-10-15)29(25,26)23-17-12-11-16(27-4)13-18(17)28-5/h6-14,23H,1-5H3.
What are the key properties of 3-tert-butyl-N-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-sulfonamide?
3-tert-butyl-N-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-sulfonamide has a molecular weight of 415.52 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 42284776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).