1-(5-chlorothiophen-2-yl)sulfonyl-2-(3-methylphenyl)pyrrolidine

C15H16ClNO2S2 — CID 50746966

IUPAC1-(5-chlorothiophen-2-yl)sulfonyl-2-(3-methylphenyl)pyrrolidine
SMILESCc1cccc(C2CCCN2S(=O)(=O)c2ccc(Cl)s2)c1
InChIInChI=1S/C15H16ClNO2S2/c1-11-4-2-5-12(10-11)13-6-3-9-17(13)21(18,19)15-8-7-14(16)20-15/h2,4-5,7-8,10,13H,3,6,9H2,1H3
InChIKeyKLROHRXNURHTNM-UHFFFAOYSA-N
MW341.89 g/mol
LogP4.24
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)sulfonyl-2-(3-methylphenyl)pyrrolidine

1-(5-chlorothiophen-2-yl)sulfonyl-2-(3-methylphenyl)pyrrolidine (PubChem CID 50746966) has the molecular formula C15H16ClNO2S2 and a molecular weight of 341.89 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-2-(3-methylphenyl)pyrrolidine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)sulfonyl-2-(3-methylphenyl)pyrrolidine
PubChem CID50746966
Molecular FormulaC15H16ClNO2S2
Molecular Weight341.89 g/mol
Exact Mass341.03
IUPAC Name1-(5-chlorothiophen-2-yl)sulfonyl-2-(3-methylphenyl)pyrrolidine
SMILESCc1cccc(C2CCCN2S(=O)(=O)c2ccc(Cl)s2)c1
InChIInChI=1S/C15H16ClNO2S2/c1-11-4-2-5-12(10-11)13-6-3-9-17(13)21(18,19)15-8-7-14(16)20-15/h2,4-5,7-8,10,13H,3,6,9H2,1H3
InChIKeyKLROHRXNURHTNM-UHFFFAOYSA-N
XLogP4.24
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.89
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(5-bromothiophen-2-yl)sulfonyl-2-(3-methylphenyl)pyrrolidine
CID 94080774
(2S)-2-(3-methylphenyl)-1-methylsulfonylpyrrolidine
CID 51694768
2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
CID 110873160
(2S)-1-(4-chlorophenyl)sulfonyl-2-(3-methylphenyl)azepane
CID 95078859
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-2-thiophen-2-ylpyrrolidine
CID 51550798
2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]pyridine
CID 47387683
1-(5-chlorothiophen-2-yl)sulfonyl-2-methylpyrrolidine
CID 110728237
2-(3-bromophenyl)-1-(5-bromothiophen-2-yl)sulfonylpyrrolidine
CID 63422446
1-(5-chlorothiophen-2-yl)sulfonyl-2-(2,4-dimethoxyphenyl)pyrrolidine
CID 24511085
(2R)-1-(2,5-difluorophenyl)sulfonyl-2-(3-methylphenyl)pyrrolidine
CID 51855807
(2R)-1-(5-bromothiophen-2-yl)sulfonyl-2-(3-fluorophenyl)pyrrolidine
CID 51855580
2-(3-methylphenyl)-1-(4-propan-2-ylphenyl)sulfonylazepane
CID 53096220

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-2-(3-methylphenyl)pyrrolidine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-2-(3-methylphenyl)pyrrolidine (CID 50746966) is 1-(5-chlorothiophen-2-yl)sulfonyl-2-(3-methylphenyl)pyrrolidine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-2-(3-methylphenyl)pyrrolidine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-2-(3-methylphenyl)pyrrolidine is Cc1cccc(C2CCCN2S(=O)(=O)c2ccc(Cl)s2)c1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-2-(3-methylphenyl)pyrrolidine?
The InChIKey is KLROHRXNURHTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S2/c1-11-4-2-5-12(10-11)13-6-3-9-17(13)21(18,19)15-8-7-14(16)20-15/h2,4-5,7-8,10,13H,3,6,9H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-2-(3-methylphenyl)pyrrolidine?
1-(5-chlorothiophen-2-yl)sulfonyl-2-(3-methylphenyl)pyrrolidine has a molecular weight of 341.89 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)sulfonyl-2-(3-methylphenyl)pyrrolidine is sourced from PubChem (CID 50746966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).