1-benzyl-N-[2-(4-fluorophenyl)ethyl]-3-methylpyrazole-4-sulfonamide

C19H20FN3O2S — CID 42283116

IUPAC1-benzyl-N-[2-(4-fluorophenyl)ethyl]-3-methylpyrazole-4-sulfonamide
SMILESCc1nn(Cc2ccccc2)cc1S(=O)(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C19H20FN3O2S/c1-15-19(14-23(22-15)13-17-5-3-2-4-6-17)26(24,25)21-12-11-16-7-9-18(20)10-8-16/h2-10,14,21H,11-13H2,1H3
InChIKeyZCLKPYDKKRGFLC-UHFFFAOYSA-N
MW373.45 g/mol
LogP2.90
Rot. Bonds7

About 1-benzyl-N-[2-(4-fluorophenyl)ethyl]-3-methylpyrazole-4-sulfonamide

1-benzyl-N-[2-(4-fluorophenyl)ethyl]-3-methylpyrazole-4-sulfonamide (PubChem CID 42283116) has the molecular formula C19H20FN3O2S and a molecular weight of 373.45 g/mol. Its IUPAC name is 1-benzyl-N-[2-(4-fluorophenyl)ethyl]-3-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-benzyl-N-[2-(4-fluorophenyl)ethyl]-3-methylpyrazole-4-sulfonamide
PubChem CID42283116
Molecular FormulaC19H20FN3O2S
Molecular Weight373.45 g/mol
Exact Mass373.13
IUPAC Name1-benzyl-N-[2-(4-fluorophenyl)ethyl]-3-methylpyrazole-4-sulfonamide
SMILESCc1nn(Cc2ccccc2)cc1S(=O)(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C19H20FN3O2S/c1-15-19(14-23(22-15)13-17-5-3-2-4-6-17)26(24,25)21-12-11-16-7-9-18(20)10-8-16/h2-10,14,21H,11-13H2,1H3
InChIKeyZCLKPYDKKRGFLC-UHFFFAOYSA-N
XLogP2.90
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide
CID 42283119
1-benzyl-3-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide
CID 42283113
1-benzyl-N-(4-butylphenyl)-3-methylpyrazole-4-sulfonamide
CID 42283031
3-amino-1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-sulfonamide
CID 60809082
1-benzyl-3-methyl-N-(2,3,4-trifluorophenyl)pyrazole-4-sulfonamide
CID 42283111
1-benzyl-N-(furan-2-ylmethyl)-3-methylpyrazole-4-sulfonamide
CID 42282996
3-amino-N-[2-(4-fluorophenyl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 60808925
1-benzyl-N-(3,5-dimethylphenyl)-3-methylpyrazole-4-sulfonamide
CID 42283073
N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51170044
1-benzyl-3-tert-butyl-N-propylpyrazole-4-sulfonamide
CID 42284354
2-chloro-4-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 3861915
N-[(4-fluorophenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 19584272

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-(4-fluorophenyl)ethyl]-3-methylpyrazole-4-sulfonamide?
The IUPAC name of 1-benzyl-N-[2-(4-fluorophenyl)ethyl]-3-methylpyrazole-4-sulfonamide (CID 42283116) is 1-benzyl-N-[2-(4-fluorophenyl)ethyl]-3-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-benzyl-N-[2-(4-fluorophenyl)ethyl]-3-methylpyrazole-4-sulfonamide?
The canonical SMILES for 1-benzyl-N-[2-(4-fluorophenyl)ethyl]-3-methylpyrazole-4-sulfonamide is Cc1nn(Cc2ccccc2)cc1S(=O)(=O)NCCc1ccc(F)cc1.
What is the InChIKey of 1-benzyl-N-[2-(4-fluorophenyl)ethyl]-3-methylpyrazole-4-sulfonamide?
The InChIKey is ZCLKPYDKKRGFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2S/c1-15-19(14-23(22-15)13-17-5-3-2-4-6-17)26(24,25)21-12-11-16-7-9-18(20)10-8-16/h2-10,14,21H,11-13H2,1H3.
What are the key properties of 1-benzyl-N-[2-(4-fluorophenyl)ethyl]-3-methylpyrazole-4-sulfonamide?
1-benzyl-N-[2-(4-fluorophenyl)ethyl]-3-methylpyrazole-4-sulfonamide has a molecular weight of 373.45 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-(4-fluorophenyl)ethyl]-3-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 42283116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).