1-benzyl-3-methyl-N-(2,3,4-trifluorophenyl)pyrazole-4-sulfonamide

C17H14F3N3O2S — CID 42283111

IUPAC1-benzyl-3-methyl-N-(2,3,4-trifluorophenyl)pyrazole-4-sulfonamide
SMILESCc1nn(Cc2ccccc2)cc1S(=O)(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C17H14F3N3O2S/c1-11-15(10-23(21-11)9-12-5-3-2-4-6-12)26(24,25)22-14-8-7-13(18)16(19)17(14)20/h2-8,10,22H,9H2,1H3
InChIKeyMAOWABJXUVFKMI-UHFFFAOYSA-N
MW381.38 g/mol
LogP3.46
Rot. Bonds5

About 1-benzyl-3-methyl-N-(2,3,4-trifluorophenyl)pyrazole-4-sulfonamide

1-benzyl-3-methyl-N-(2,3,4-trifluorophenyl)pyrazole-4-sulfonamide (PubChem CID 42283111) has the molecular formula C17H14F3N3O2S and a molecular weight of 381.38 g/mol. Its IUPAC name is 1-benzyl-3-methyl-N-(2,3,4-trifluorophenyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-benzyl-3-methyl-N-(2,3,4-trifluorophenyl)pyrazole-4-sulfonamide
PubChem CID42283111
Molecular FormulaC17H14F3N3O2S
Molecular Weight381.38 g/mol
Exact Mass381.08
IUPAC Name1-benzyl-3-methyl-N-(2,3,4-trifluorophenyl)pyrazole-4-sulfonamide
SMILESCc1nn(Cc2ccccc2)cc1S(=O)(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C17H14F3N3O2S/c1-11-15(10-23(21-11)9-12-5-3-2-4-6-12)26(24,25)22-14-8-7-13(18)16(19)17(14)20/h2-8,10,22H,9H2,1H3
InChIKeyMAOWABJXUVFKMI-UHFFFAOYSA-N
XLogP3.46
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-N-(3,5-dimethylphenyl)-3-methylpyrazole-4-sulfonamide
CID 42283073
1-benzyl-N-[2-(4-fluorophenyl)ethyl]-3-methylpyrazole-4-sulfonamide
CID 42283116
1-benzyl-N-(4-butylphenyl)-3-methylpyrazole-4-sulfonamide
CID 42283031
N-[3-[(1-benzyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
CID 42283121
1-benzyl-3-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide
CID 42283113
3-tert-butyl-1-phenyl-N-(2,3,4-trifluorophenyl)pyrazole-4-sulfonamide
CID 42344987
1-benzyl-3-tert-butyl-N-(2,5-dichlorophenyl)pyrazole-4-sulfonamide
CID 42284483
1-benzyl-3-tert-butyl-N-(3,4-difluorophenyl)pyrazole-4-sulfonamide
CID 42284485
1-benzyl-N-(furan-2-ylmethyl)-3-methylpyrazole-4-sulfonamide
CID 42282996
2-(methylamino)-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 62149736
1-benzyl-3-tert-butyl-N-(2-methylquinolin-4-yl)pyrazole-4-sulfonamide
CID 42284512
N-(1-benzyl-4-chloropyrazol-3-yl)-2,4-difluorobenzenesulfonamide
CID 22207182

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methyl-N-(2,3,4-trifluorophenyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-benzyl-3-methyl-N-(2,3,4-trifluorophenyl)pyrazole-4-sulfonamide (CID 42283111) is 1-benzyl-3-methyl-N-(2,3,4-trifluorophenyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-benzyl-3-methyl-N-(2,3,4-trifluorophenyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-benzyl-3-methyl-N-(2,3,4-trifluorophenyl)pyrazole-4-sulfonamide is Cc1nn(Cc2ccccc2)cc1S(=O)(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 1-benzyl-3-methyl-N-(2,3,4-trifluorophenyl)pyrazole-4-sulfonamide?
The InChIKey is MAOWABJXUVFKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2S/c1-11-15(10-23(21-11)9-12-5-3-2-4-6-12)26(24,25)22-14-8-7-13(18)16(19)17(14)20/h2-8,10,22H,9H2,1H3.
What are the key properties of 1-benzyl-3-methyl-N-(2,3,4-trifluorophenyl)pyrazole-4-sulfonamide?
1-benzyl-3-methyl-N-(2,3,4-trifluorophenyl)pyrazole-4-sulfonamide has a molecular weight of 381.38 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methyl-N-(2,3,4-trifluorophenyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 42283111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).