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

C19H21N3O2S — CID 22773683

IUPACN-(2,4-dimethylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(C)nn(-c3ccccc3)c2C)c(C)c1
InChIInChI=1S/C19H21N3O2S/c1-13-10-11-18(14(2)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
InChIKeyNFWLWLRENNVYLF-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.91
Rot. Bonds4

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

N-(2,4-dimethylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide (PubChem CID 22773683) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
PubChem CID22773683
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-(2,4-dimethylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(C)nn(-c3ccccc3)c2C)c(C)c1
InChIInChI=1S/C19H21N3O2S/c1-13-10-11-18(14(2)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
InChIKeyNFWLWLRENNVYLF-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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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide?
The IUPAC name of N-(2,4-dimethylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide (CID 22773683) is N-(2,4-dimethylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide is Cc1ccc(NS(=O)(=O)c2c(C)nn(-c3ccccc3)c2C)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide?
The InChIKey is NFWLWLRENNVYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-13-10-11-18(14(2)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-(2,4-dimethylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide?
N-(2,4-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-(2,4-dimethylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 22773683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).