4-[2-(4-chlorophenyl)pyrrolidin-1-yl]sulfonyl-1-(oxan-4-yl)pyrazole

C18H22ClN3O3S — CID 126776665

IUPAC4-[2-(4-chlorophenyl)pyrrolidin-1-yl]sulfonyl-1-(oxan-4-yl)pyrazole
SMILESO=S(=O)(c1cnn(C2CCOCC2)c1)N1CCCC1c1ccc(Cl)cc1
InChIInChI=1S/C18H22ClN3O3S/c19-15-5-3-14(4-6-15)18-2-1-9-22(18)26(23,24)17-12-20-21(13-17)16-7-10-25-11-8-16/h3-6,12-13,16,18H,1-2,7-11H2
InChIKeyWYMJQYAKXKZAHR-UHFFFAOYSA-N
MW395.91 g/mol
LogP3.41
Rot. Bonds4

About 4-[2-(4-chlorophenyl)pyrrolidin-1-yl]sulfonyl-1-(oxan-4-yl)pyrazole

4-[2-(4-chlorophenyl)pyrrolidin-1-yl]sulfonyl-1-(oxan-4-yl)pyrazole (PubChem CID 126776665) has the molecular formula C18H22ClN3O3S and a molecular weight of 395.91 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)pyrrolidin-1-yl]sulfonyl-1-(oxan-4-yl)pyrazole.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)pyrrolidin-1-yl]sulfonyl-1-(oxan-4-yl)pyrazole
PubChem CID126776665
Molecular FormulaC18H22ClN3O3S
Molecular Weight395.91 g/mol
Exact Mass395.11
IUPAC Name4-[2-(4-chlorophenyl)pyrrolidin-1-yl]sulfonyl-1-(oxan-4-yl)pyrazole
SMILESO=S(=O)(c1cnn(C2CCOCC2)c1)N1CCCC1c1ccc(Cl)cc1
InChIInChI=1S/C18H22ClN3O3S/c19-15-5-3-14(4-6-15)18-2-1-9-22(18)26(23,24)17-12-20-21(13-17)16-7-10-25-11-8-16/h3-6,12-13,16,18H,1-2,7-11H2
InChIKeyWYMJQYAKXKZAHR-UHFFFAOYSA-N
XLogP3.41
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.91
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(3-fluorophenyl)pyrrolidin-1-yl]sulfonyl-1-(oxan-4-yl)pyrazole
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CID 99633642
7-chloro-1-[1-(oxan-4-yl)pyrazol-4-yl]sulfonyl-2,3,4,5-tetrahydro-1-benzazepine
CID 131962818
(2R)-2-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine
CID 35391559
(2S)-2-(4-chlorophenyl)-1-methylsulfonylpyrrolidine
CID 51694759
(2R)-2-(4-chlorophenyl)-1-(4-ethylphenyl)sulfonylpyrrolidine
CID 51856609
4-[(2R)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine
CID 94162249
1-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)pyrrolidine
CID 24511415
4-chloro-1-(oxan-4-yl)pyrazole
CID 84732827
1-[6-[2-(4-chlorophenyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 20895710
1-(4-chlorophenyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
CID 90597812
5-[1-(oxan-4-yl)pyrazol-4-yl]sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 99629788

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)pyrrolidin-1-yl]sulfonyl-1-(oxan-4-yl)pyrazole?
The IUPAC name of 4-[2-(4-chlorophenyl)pyrrolidin-1-yl]sulfonyl-1-(oxan-4-yl)pyrazole (CID 126776665) is 4-[2-(4-chlorophenyl)pyrrolidin-1-yl]sulfonyl-1-(oxan-4-yl)pyrazole.
What is the SMILES notation for 4-[2-(4-chlorophenyl)pyrrolidin-1-yl]sulfonyl-1-(oxan-4-yl)pyrazole?
The canonical SMILES for 4-[2-(4-chlorophenyl)pyrrolidin-1-yl]sulfonyl-1-(oxan-4-yl)pyrazole is O=S(=O)(c1cnn(C2CCOCC2)c1)N1CCCC1c1ccc(Cl)cc1.
What is the InChIKey of 4-[2-(4-chlorophenyl)pyrrolidin-1-yl]sulfonyl-1-(oxan-4-yl)pyrazole?
The InChIKey is WYMJQYAKXKZAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3S/c19-15-5-3-14(4-6-15)18-2-1-9-22(18)26(23,24)17-12-20-21(13-17)16-7-10-25-11-8-16/h3-6,12-13,16,18H,1-2,7-11H2.
What are the key properties of 4-[2-(4-chlorophenyl)pyrrolidin-1-yl]sulfonyl-1-(oxan-4-yl)pyrazole?
4-[2-(4-chlorophenyl)pyrrolidin-1-yl]sulfonyl-1-(oxan-4-yl)pyrazole has a molecular weight of 395.91 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)pyrrolidin-1-yl]sulfonyl-1-(oxan-4-yl)pyrazole is sourced from PubChem (CID 126776665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).