1-[2-(4-fluorophenyl)sulfonylethyl]-4-methylsulfonylpyrazole

C12H13FN2O4S2 — CID 138020578

IUPAC1-[2-(4-fluorophenyl)sulfonylethyl]-4-methylsulfonylpyrazole
SMILESCS(=O)(=O)c1cnn(CCS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C12H13FN2O4S2/c1-20(16,17)12-8-14-15(9-12)6-7-21(18,19)11-4-2-10(13)3-5-11/h2-5,8-9H,6-7H2,1H3
InChIKeyNWQSHGNIAXNUEA-UHFFFAOYSA-N
MW332.38 g/mol
LogP0.90
Rot. Bonds5

About 1-[2-(4-fluorophenyl)sulfonylethyl]-4-methylsulfonylpyrazole

1-[2-(4-fluorophenyl)sulfonylethyl]-4-methylsulfonylpyrazole (PubChem CID 138020578) has the molecular formula C12H13FN2O4S2 and a molecular weight of 332.38 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)sulfonylethyl]-4-methylsulfonylpyrazole.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)sulfonylethyl]-4-methylsulfonylpyrazole
PubChem CID138020578
Molecular FormulaC12H13FN2O4S2
Molecular Weight332.38 g/mol
Exact Mass332.03
IUPAC Name1-[2-(4-fluorophenyl)sulfonylethyl]-4-methylsulfonylpyrazole
SMILESCS(=O)(=O)c1cnn(CCS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C12H13FN2O4S2/c1-20(16,17)12-8-14-15(9-12)6-7-21(18,19)11-4-2-10(13)3-5-11/h2-5,8-9H,6-7H2,1H3
InChIKeyNWQSHGNIAXNUEA-UHFFFAOYSA-N
XLogP0.90
TPSA86.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-(4-fluorophenyl)sulfonylethyl]-4-methylsulfonylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methylsulfonyl-1-[(4-methylsulfonylphenyl)methyl]pyrazole
CID 154786420
4-fluoro-2-[(4-methylsulfonylpyrazol-1-yl)methyl]aniline
CID 165472918
1-[2-(4-methylphenyl)sulfonylethyl]pyrazole-4-carboxylic acid
CID 91343019
5-(4-methylsulfonylpyrazol-1-yl)pentan-2-ol
CID 165472463
4-methylsulfonyl-1-[3-(oxiran-2-yl)propyl]pyrazole
CID 165481225
2-[2-(4-methylsulfonylpyrazol-1-yl)ethyl]aniline
CID 165472921
(2R)-1-(4-methylsulfonylpyrazol-1-yl)propan-2-amine
CID 165473094
3-(4-fluorophenyl)sulfonylpropyl-tritritiooxysilane
CID 140697839
(2R)-1-(4-methylsulfonylpyrazol-1-yl)propan-2-ol
CID 165472464
1-[1-[3-(4-fluorophenyl)sulfonylpropyl]azetidin-3-yl]-4-methylpyrazole
CID 56802785
[3-fluoro-4-[(4-methylsulfonylpyrazol-1-yl)methyl]phenyl]methanamine
CID 165481482
N-[2-(4-bromopyrazol-1-yl)ethyl]-4-fluorobenzenesulfonamide
CID 22208753

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)sulfonylethyl]-4-methylsulfonylpyrazole?
The IUPAC name of 1-[2-(4-fluorophenyl)sulfonylethyl]-4-methylsulfonylpyrazole (CID 138020578) is 1-[2-(4-fluorophenyl)sulfonylethyl]-4-methylsulfonylpyrazole.
What is the SMILES notation for 1-[2-(4-fluorophenyl)sulfonylethyl]-4-methylsulfonylpyrazole?
The canonical SMILES for 1-[2-(4-fluorophenyl)sulfonylethyl]-4-methylsulfonylpyrazole is CS(=O)(=O)c1cnn(CCS(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 1-[2-(4-fluorophenyl)sulfonylethyl]-4-methylsulfonylpyrazole?
The InChIKey is NWQSHGNIAXNUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O4S2/c1-20(16,17)12-8-14-15(9-12)6-7-21(18,19)11-4-2-10(13)3-5-11/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 1-[2-(4-fluorophenyl)sulfonylethyl]-4-methylsulfonylpyrazole?
1-[2-(4-fluorophenyl)sulfonylethyl]-4-methylsulfonylpyrazole has a molecular weight of 332.38 g/mol, XLogP of 0.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)sulfonylethyl]-4-methylsulfonylpyrazole is sourced from PubChem (CID 138020578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).