4-[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,5-dimethylpyrazole

C15H18ClN3O2S — CID 100667905

IUPAC4-[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,5-dimethylpyrazole
SMILESCc1c([C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cnn1C
InChIInChI=1S/C15H18ClN3O2S/c1-11-14(10-17-18(11)2)15-4-3-9-19(15)22(20,21)13-7-5-12(16)6-8-13/h5-8,10,15H,3-4,9H2,1-2H3/t15-/m0/s1
InChIKeyDHEUJIAZAVORQM-HNNXBMFYSA-N
MW339.85 g/mol
LogP2.91
Rot. Bonds3

About 4-[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,5-dimethylpyrazole

4-[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,5-dimethylpyrazole (PubChem CID 100667905) has the molecular formula C15H18ClN3O2S and a molecular weight of 339.85 g/mol. Its IUPAC name is 4-[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,5-dimethylpyrazole.

Molecular Properties

Compound Name4-[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,5-dimethylpyrazole
PubChem CID100667905
Molecular FormulaC15H18ClN3O2S
Molecular Weight339.85 g/mol
Exact Mass339.08
IUPAC Name4-[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,5-dimethylpyrazole
SMILESCc1c([C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cnn1C
InChIInChI=1S/C15H18ClN3O2S/c1-11-14(10-17-18(11)2)15-4-3-9-19(15)22(20,21)13-7-5-12(16)6-8-13/h5-8,10,15H,3-4,9H2,1-2H3/t15-/m0/s1
InChIKeyDHEUJIAZAVORQM-HNNXBMFYSA-N
XLogP2.91
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,5-dimethylpyrazole?
The IUPAC name of 4-[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,5-dimethylpyrazole (CID 100667905) is 4-[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,5-dimethylpyrazole.
What is the SMILES notation for 4-[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,5-dimethylpyrazole?
The canonical SMILES for 4-[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,5-dimethylpyrazole is Cc1c([C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cnn1C.
What is the InChIKey of 4-[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,5-dimethylpyrazole?
The InChIKey is DHEUJIAZAVORQM-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H18ClN3O2S/c1-11-14(10-17-18(11)2)15-4-3-9-19(15)22(20,21)13-7-5-12(16)6-8-13/h5-8,10,15H,3-4,9H2,1-2H3/t15-/m0/s1.
What are the key properties of 4-[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,5-dimethylpyrazole?
4-[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,5-dimethylpyrazole has a molecular weight of 339.85 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,5-dimethylpyrazole is sourced from PubChem (CID 100667905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).