5-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-2-yl]-1-methylpyrazole

C14H15ClFN3O2S — CID 136561171

IUPAC5-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-2-yl]-1-methylpyrazole
SMILESCn1nccc1C1CCCN1S(=O)(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C14H15ClFN3O2S/c1-18-12(6-7-17-18)13-3-2-8-19(13)22(20,21)14-9-10(16)4-5-11(14)15/h4-7,9,13H,2-3,8H2,1H3
InChIKeyIUEYHZOOWCSTCD-UHFFFAOYSA-N
MW343.81 g/mol
LogP2.74
Rot. Bonds3

About 5-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-2-yl]-1-methylpyrazole

5-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-2-yl]-1-methylpyrazole (PubChem CID 136561171) has the molecular formula C14H15ClFN3O2S and a molecular weight of 343.81 g/mol. Its IUPAC name is 5-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-2-yl]-1-methylpyrazole.

Molecular Properties

Compound Name5-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-2-yl]-1-methylpyrazole
PubChem CID136561171
Molecular FormulaC14H15ClFN3O2S
Molecular Weight343.81 g/mol
Exact Mass343.06
IUPAC Name5-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-2-yl]-1-methylpyrazole
SMILESCn1nccc1C1CCCN1S(=O)(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C14H15ClFN3O2S/c1-18-12(6-7-17-18)13-3-2-8-19(13)22(20,21)14-9-10(16)4-5-11(14)15/h4-7,9,13H,2-3,8H2,1H3
InChIKeyIUEYHZOOWCSTCD-UHFFFAOYSA-N
XLogP2.74
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 115752536
1-(2-chloro-5-fluorophenyl)sulfonylazepan-2-amine
CID 105400292
(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 103862650
(2R)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 103862709
(1S)-1-[(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanamine
CID 124570360
(2S)-1-(2-methoxy-5-methylphenyl)sulfonyl-2-(2-methylpyrazol-3-yl)piperidine
CID 164637277
1-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 105400230
2-(3-bromopropyl)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine
CID 105400680
1-(2-chloro-5-fluorophenyl)sulfonyl-2-isocyanatopyrrolidine
CID 105400275
3-[1-(2,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]-4-methyl-1,2,4-triazole
CID 75396604
1-(2-chloro-5-fluorophenyl)sulfonylpiperidine-2-carbaldehyde
CID 105400762
1-[1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanol
CID 84590364

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-2-yl]-1-methylpyrazole?
The IUPAC name of 5-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-2-yl]-1-methylpyrazole (CID 136561171) is 5-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-2-yl]-1-methylpyrazole.
What is the SMILES notation for 5-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-2-yl]-1-methylpyrazole?
The canonical SMILES for 5-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-2-yl]-1-methylpyrazole is Cn1nccc1C1CCCN1S(=O)(=O)c1cc(F)ccc1Cl.
What is the InChIKey of 5-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-2-yl]-1-methylpyrazole?
The InChIKey is IUEYHZOOWCSTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3O2S/c1-18-12(6-7-17-18)13-3-2-8-19(13)22(20,21)14-9-10(16)4-5-11(14)15/h4-7,9,13H,2-3,8H2,1H3.
What are the key properties of 5-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-2-yl]-1-methylpyrazole?
5-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-2-yl]-1-methylpyrazole has a molecular weight of 343.81 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-2-yl]-1-methylpyrazole is sourced from PubChem (CID 136561171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).