5-chloro-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide

C15H17ClF3N3O4S — CID 55879939

IUPAC5-chloro-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCOCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1c(C)nn(C)c1Cl
InChIInChI=1S/C15H17ClF3N3O4S/c1-9-13(14(16)22(2)20-9)27(23,24)21-11-8-10(15(17,18)19)4-5-12(11)26-7-6-25-3/h4-5,8,21H,6-7H2,1-3H3
InChIKeyXTNHMZLPDQDRLB-UHFFFAOYSA-N
MW427.83 g/mol
LogP3.23
Rot. Bonds7

About 5-chloro-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide

5-chloro-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 55879939) has the molecular formula C15H17ClF3N3O4S and a molecular weight of 427.83 g/mol. Its IUPAC name is 5-chloro-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID55879939
Molecular FormulaC15H17ClF3N3O4S
Molecular Weight427.83 g/mol
Exact Mass427.06
IUPAC Name5-chloro-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCOCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1c(C)nn(C)c1Cl
InChIInChI=1S/C15H17ClF3N3O4S/c1-9-13(14(16)22(2)20-9)27(23,24)21-11-8-10(15(17,18)19)4-5-12(11)26-7-6-25-3/h4-5,8,21H,6-7H2,1-3H3
InChIKeyXTNHMZLPDQDRLB-UHFFFAOYSA-N
XLogP3.23
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.83
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-methoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 26983087
N-(4-tert-butyl-2-chlorophenyl)-5-chloro-1,3-dimethylpyrazole-4-sulfonamide
CID 3666126
5-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 55731063
5-chloro-N-(2-methoxy-5-phenylphenyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 146545852
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-5-methylpyrazine-2-carboxamide
CID 17439153
N-[3-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]-4-fluorophenyl]acetamide
CID 55895951
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 17417002
N-[2-(4-tert-butylphenoxy)ethyl]-5-chloro-1,3-dimethylpyrazole-4-sulfonamide
CID 55873493
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-methyl-5-methylsulfonylbenzamide
CID 26177491
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 26177639
5-chloro-N-[5-(hydroxymethyl)-2-methylphenyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 5193021
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide
CID 9116070

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide (CID 55879939) is 5-chloro-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide is COCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1c(C)nn(C)c1Cl.
What is the InChIKey of 5-chloro-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is XTNHMZLPDQDRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClF3N3O4S/c1-9-13(14(16)22(2)20-9)27(23,24)21-11-8-10(15(17,18)19)4-5-12(11)26-7-6-25-3/h4-5,8,21H,6-7H2,1-3H3.
What are the key properties of 5-chloro-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide?
5-chloro-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 427.83 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 55879939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).