N-(2-methoxy-5-phenylphenyl)-1,3-dimethylpyrazole-4-sulfonamide

C18H19N3O3S — CID 16677699

IUPACN-(2-methoxy-5-phenylphenyl)-1,3-dimethylpyrazole-4-sulfonamide
SMILESCOc1ccc(-c2ccccc2)cc1NS(=O)(=O)c1cn(C)nc1C
InChIInChI=1S/C18H19N3O3S/c1-13-18(12-21(2)19-13)25(22,23)20-16-11-15(9-10-17(16)24-3)14-7-5-4-6-8-14/h4-12,20H,1-3H3
InChIKeyJESQQTYIQQABJC-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.20
Rot. Bonds5

About N-(2-methoxy-5-phenylphenyl)-1,3-dimethylpyrazole-4-sulfonamide

N-(2-methoxy-5-phenylphenyl)-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 16677699) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-(2-methoxy-5-phenylphenyl)-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxy-5-phenylphenyl)-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID16677699
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN-(2-methoxy-5-phenylphenyl)-1,3-dimethylpyrazole-4-sulfonamide
SMILESCOc1ccc(-c2ccccc2)cc1NS(=O)(=O)c1cn(C)nc1C
InChIInChI=1S/C18H19N3O3S/c1-13-18(12-21(2)19-13)25(22,23)20-16-11-15(9-10-17(16)24-3)14-7-5-4-6-8-14/h4-12,20H,1-3H3
InChIKeyJESQQTYIQQABJC-UHFFFAOYSA-N
XLogP3.20
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(2-methoxy-5-phenylphenyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 146545852
1,3-dimethyl-N-phenylpyrazole-4-sulfonamide
CID 17377259
1,3-dimethyl-N-pyridin-2-ylpyrazole-4-sulfonamide
CID 17375852
N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxyphenyl]-2-methylbenzenesulfonamide
CID 86578259
2-[(1,3-dimethylpyrazol-4-yl)sulfonylamino]benzamide
CID 17371559
N-(5-chloro-2-methoxyphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349963
2-methoxy-5-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 8514631
3-chloro-4-hydroxy-5-[(2-methoxy-5-phenylphenyl)sulfamoyl]-N,N-dimethylbenzamide
CID 146545910
N-[(1R)-1-[4-(5-fluoro-2-methoxyphenyl)phenyl]ethyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 24768973
3-chloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)-5-(tetrazolidin-5-yl)benzenesulfonamide
CID 167844669
N-(3,4-dimethylphenyl)-1-methyl-3-phenylpyrazole-4-sulfonamide
CID 42284845
N-(2-methoxyphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285186

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-phenylphenyl)-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(2-methoxy-5-phenylphenyl)-1,3-dimethylpyrazole-4-sulfonamide (CID 16677699) is N-(2-methoxy-5-phenylphenyl)-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-methoxy-5-phenylphenyl)-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2-methoxy-5-phenylphenyl)-1,3-dimethylpyrazole-4-sulfonamide is COc1ccc(-c2ccccc2)cc1NS(=O)(=O)c1cn(C)nc1C.
What is the InChIKey of N-(2-methoxy-5-phenylphenyl)-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is JESQQTYIQQABJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-13-18(12-21(2)19-13)25(22,23)20-16-11-15(9-10-17(16)24-3)14-7-5-4-6-8-14/h4-12,20H,1-3H3.
What are the key properties of N-(2-methoxy-5-phenylphenyl)-1,3-dimethylpyrazole-4-sulfonamide?
N-(2-methoxy-5-phenylphenyl)-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 357.44 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-phenylphenyl)-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 16677699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).