2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-1H-pyrrole

C12H13ClN2O2S2 — CID 110873160

IUPAC2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCCC1c1ccc[nH]1
InChIInChI=1S/C12H13ClN2O2S2/c13-11-5-6-12(18-11)19(16,17)15-8-2-4-10(15)9-3-1-7-14-9/h1,3,5-7,10,14H,2,4,8H2
InChIKeyRKLBTYFRDKKPOO-UHFFFAOYSA-N
MW316.84 g/mol
LogP3.26
Rot. Bonds3

About 2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-1H-pyrrole

2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-1H-pyrrole (PubChem CID 110873160) has the molecular formula C12H13ClN2O2S2 and a molecular weight of 316.84 g/mol. Its IUPAC name is 2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-1H-pyrrole.

Molecular Properties

Compound Name2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
PubChem CID110873160
Molecular FormulaC12H13ClN2O2S2
Molecular Weight316.84 g/mol
Exact Mass316.01
IUPAC Name2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCCC1c1ccc[nH]1
InChIInChI=1S/C12H13ClN2O2S2/c13-11-5-6-12(18-11)19(16,17)15-8-2-4-10(15)9-3-1-7-14-9/h1,3,5-7,10,14H,2,4,8H2
InChIKeyRKLBTYFRDKKPOO-UHFFFAOYSA-N
XLogP3.26
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.84
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-methyl-5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonyl-1,3-thiazole
CID 61046643
2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]pyridine
CID 47387683
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-2-thiophen-2-ylpyrrolidine
CID 51550798
1-(5-chlorothiophen-2-yl)sulfonyl-2-(3-methylphenyl)pyrrolidine
CID 50746966
2-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
CID 47176211
1-(5-chlorothiophen-2-yl)sulfonyl-2-methylpyrrolidine
CID 110728237
4-chloro-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylaniline
CID 61116545
5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylic acid
CID 60951906
2-(1-propan-2-ylsulfonylpyrrolidin-2-yl)-1H-pyrrole
CID 61357186
(2S)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxylate
CID 7063076
2-[1-(2,4-dibromophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
CID 61073788
5-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
CID 46366393

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-1H-pyrrole?
The IUPAC name of 2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-1H-pyrrole (CID 110873160) is 2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-1H-pyrrole.
What is the SMILES notation for 2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-1H-pyrrole?
The canonical SMILES for 2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-1H-pyrrole is O=S(=O)(c1ccc(Cl)s1)N1CCCC1c1ccc[nH]1.
What is the InChIKey of 2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-1H-pyrrole?
The InChIKey is RKLBTYFRDKKPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2S2/c13-11-5-6-12(18-11)19(16,17)15-8-2-4-10(15)9-3-1-7-14-9/h1,3,5-7,10,14H,2,4,8H2.
What are the key properties of 2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-1H-pyrrole?
2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-1H-pyrrole has a molecular weight of 316.84 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-1H-pyrrole is sourced from PubChem (CID 110873160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).