2-[1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole

C13H12Cl2N2O3S2 — CID 121150752

IUPAC2-[1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole
SMILESO=S(=O)(c1c(Cl)cccc1Cl)N1CCC(Oc2nccs2)C1
InChIInChI=1S/C13H12Cl2N2O3S2/c14-10-2-1-3-11(15)12(10)22(18,19)17-6-4-9(8-17)20-13-16-5-7-21-13/h1-3,5,7,9H,4,6,8H2
InChIKeyAHMANLGPDABDEN-UHFFFAOYSA-N
MW379.29 g/mol
LogP3.29
Rot. Bonds4

About 2-[1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole

2-[1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole (PubChem CID 121150752) has the molecular formula C13H12Cl2N2O3S2 and a molecular weight of 379.29 g/mol. Its IUPAC name is 2-[1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole
PubChem CID121150752
Molecular FormulaC13H12Cl2N2O3S2
Molecular Weight379.29 g/mol
Exact Mass377.97
IUPAC Name2-[1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole
SMILESO=S(=O)(c1c(Cl)cccc1Cl)N1CCC(Oc2nccs2)C1
InChIInChI=1S/C13H12Cl2N2O3S2/c14-10-2-1-3-11(15)12(10)22(18,19)17-6-4-9(8-17)20-13-16-5-7-21-13/h1-3,5,7,9H,4,6,8H2
InChIKeyAHMANLGPDABDEN-UHFFFAOYSA-N
XLogP3.29
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(3-phenylphenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole
CID 121150766
2-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole
CID 90627754
2-[1-[4-(2-methylphenoxy)phenyl]sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole
CID 121150751
2-[1-(3-chloro-4-methylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole
CID 90627728
2-[1-[(2-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]oxy-1,3-thiazole
CID 121150775
2-[1-(3-phenoxypropylsulfonyl)pyrrolidin-3-yl]oxy-1,3-thiazole
CID 121150768
methyl N-[4-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]sulfonylphenyl]carbamate
CID 121150776
2-[1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole
CID 121150721
2-[1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
CID 90618031
2-[1-(2,3,5,6-tetramethylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole
CID 73168899
2-(1-naphthalen-1-ylsulfonylazetidin-3-yl)oxy-1,3-thiazole
CID 90627732
(3S)-1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-amine
CID 94340426

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole?
The IUPAC name of 2-[1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole (CID 121150752) is 2-[1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole.
What is the SMILES notation for 2-[1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole?
The canonical SMILES for 2-[1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole is O=S(=O)(c1c(Cl)cccc1Cl)N1CCC(Oc2nccs2)C1.
What is the InChIKey of 2-[1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole?
The InChIKey is AHMANLGPDABDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O3S2/c14-10-2-1-3-11(15)12(10)22(18,19)17-6-4-9(8-17)20-13-16-5-7-21-13/h1-3,5,7,9H,4,6,8H2.
What are the key properties of 2-[1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole?
2-[1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole has a molecular weight of 379.29 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole is sourced from PubChem (CID 121150752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).