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

C19H21N3O2S — CID 22773697

IUPACN-(2,5-dimethylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2c(C)nn(-c3ccccc3)c2C)c1
InChIInChI=1S/C19H21N3O2S/c1-13-10-11-14(2)18(12-13)21-25(23,24)19-15(3)20-22(16(19)4)17-8-6-5-7-9-17/h5-12,21H,1-4H3
InChIKeyGDVWXRXCTJYGCZ-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.91
Rot. Bonds4

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

N-(2,5-dimethylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide (PubChem CID 22773697) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
PubChem CID22773697
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-(2,5-dimethylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2c(C)nn(-c3ccccc3)c2C)c1
InChIInChI=1S/C19H21N3O2S/c1-13-10-11-14(2)18(12-13)21-25(23,24)19-15(3)20-22(16(19)4)17-8-6-5-7-9-17/h5-12,21H,1-4H3
InChIKeyGDVWXRXCTJYGCZ-UHFFFAOYSA-N
XLogP3.91
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22773683
N-(2-bromo-4-methylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22773989
N-[1-(2,4-dimethylphenyl)ethyl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22201074
3,5-dimethyl-N-(2-methylsulfanylphenyl)-1-phenylpyrazole-4-sulfonamide
CID 22775217
3,5-dimethyl-N-(5-methyl-2-pyridinyl)-1-phenylpyrazole-4-sulfonamide
CID 19683137
N-(4-bromo-2-chlorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22774641
N-(2,4-dimethoxyphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 17376527
N-(4-bromo-2-fluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22773621
N-(4-bromo-3-methylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22774681
N-(3,4-dichlorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22773571
3,5-dimethyl-N-(4-methyl-3-nitrophenyl)-1-phenylpyrazole-4-sulfonamide
CID 22775075
N-(4-fluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22773337

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide?
The IUPAC name of N-(2,5-dimethylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide (CID 22773697) is N-(2,5-dimethylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide is Cc1ccc(C)c(NS(=O)(=O)c2c(C)nn(-c3ccccc3)c2C)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide?
The InChIKey is GDVWXRXCTJYGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-13-10-11-14(2)18(12-13)21-25(23,24)19-15(3)20-22(16(19)4)17-8-6-5-7-9-17/h5-12,21H,1-4H3.
What are the key properties of N-(2,5-dimethylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide?
N-(2,5-dimethylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide has a molecular weight of 355.46 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 22773697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).