(2R)-1-(5-bromothiophen-2-yl)sulfonyl-2-(3-fluorophenyl)pyrrolidine

C14H13BrFNO2S2 — CID 51855580

IUPAC(2R)-1-(5-bromothiophen-2-yl)sulfonyl-2-(3-fluorophenyl)pyrrolidine
SMILESO=S(=O)(c1ccc(Br)s1)N1CCC[C@@H]1c1cccc(F)c1
InChIInChI=1S/C14H13BrFNO2S2/c15-13-6-7-14(20-13)21(18,19)17-8-2-5-12(17)10-3-1-4-11(16)9-10/h1,3-4,6-7,9,12H,2,5,8H2/t12-/m1/s1
InChIKeyWDOUNSZYMQYBCF-GFCCVEGCSA-N
MW390.30 g/mol
LogP4.18
Rot. Bonds3

About (2R)-1-(5-bromothiophen-2-yl)sulfonyl-2-(3-fluorophenyl)pyrrolidine

(2R)-1-(5-bromothiophen-2-yl)sulfonyl-2-(3-fluorophenyl)pyrrolidine (PubChem CID 51855580) has the molecular formula C14H13BrFNO2S2 and a molecular weight of 390.30 g/mol. Its IUPAC name is (2R)-1-(5-bromothiophen-2-yl)sulfonyl-2-(3-fluorophenyl)pyrrolidine.

Molecular Properties

Compound Name(2R)-1-(5-bromothiophen-2-yl)sulfonyl-2-(3-fluorophenyl)pyrrolidine
PubChem CID51855580
Molecular FormulaC14H13BrFNO2S2
Molecular Weight390.30 g/mol
Exact Mass388.96
IUPAC Name(2R)-1-(5-bromothiophen-2-yl)sulfonyl-2-(3-fluorophenyl)pyrrolidine
SMILESO=S(=O)(c1ccc(Br)s1)N1CCC[C@@H]1c1cccc(F)c1
InChIInChI=1S/C14H13BrFNO2S2/c15-13-6-7-14(20-13)21(18,19)17-8-2-5-12(17)10-3-1-4-11(16)9-10/h1,3-4,6-7,9,12H,2,5,8H2/t12-/m1/s1
InChIKeyWDOUNSZYMQYBCF-GFCCVEGCSA-N
XLogP4.18
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.30
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenyl)-1-(5-bromothiophen-2-yl)sulfonylpyrrolidine
CID 63422446
(2S)-1-(5-bromothiophen-2-yl)sulfonyl-2-(3-methylphenyl)pyrrolidine
CID 94080774
1-[(5-bromothiophen-2-yl)methyl]-2-(3-fluorophenyl)pyrrolidine
CID 20895866
(2R)-2-(3-fluorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine
CID 51855630
(2S)-1-(3-chloro-4-fluorophenyl)sulfonyl-2-(3-fluorophenyl)pyrrolidine
CID 51856127
1-(5-chlorothiophen-2-yl)sulfonyl-2-(3-methylphenyl)pyrrolidine
CID 50746966
1-(3-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)pyrrolidine
CID 51320506
(2R)-1-ethylsulfonyl-2-(3-fluorophenyl)azepane
CID 93072811
(2S)-1-ethylsulfonyl-2-(3-fluorophenyl)azepane
CID 93072812
1-(5-bromothiophen-2-yl)sulfonylpyrrolidine-2-carboxylate
CID 4522839
1-(difluoromethyl)-4-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]sulfonyl-5-methylpyrazole
CID 51856001
(2S)-2-(3-fluorophenyl)-1-(4-nitrophenyl)sulfonylazepane
CID 95078984

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(5-bromothiophen-2-yl)sulfonyl-2-(3-fluorophenyl)pyrrolidine?
The IUPAC name of (2R)-1-(5-bromothiophen-2-yl)sulfonyl-2-(3-fluorophenyl)pyrrolidine (CID 51855580) is (2R)-1-(5-bromothiophen-2-yl)sulfonyl-2-(3-fluorophenyl)pyrrolidine.
What is the SMILES notation for (2R)-1-(5-bromothiophen-2-yl)sulfonyl-2-(3-fluorophenyl)pyrrolidine?
The canonical SMILES for (2R)-1-(5-bromothiophen-2-yl)sulfonyl-2-(3-fluorophenyl)pyrrolidine is O=S(=O)(c1ccc(Br)s1)N1CCC[C@@H]1c1cccc(F)c1.
What is the InChIKey of (2R)-1-(5-bromothiophen-2-yl)sulfonyl-2-(3-fluorophenyl)pyrrolidine?
The InChIKey is WDOUNSZYMQYBCF-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H13BrFNO2S2/c15-13-6-7-14(20-13)21(18,19)17-8-2-5-12(17)10-3-1-4-11(16)9-10/h1,3-4,6-7,9,12H,2,5,8H2/t12-/m1/s1.
What are the key properties of (2R)-1-(5-bromothiophen-2-yl)sulfonyl-2-(3-fluorophenyl)pyrrolidine?
(2R)-1-(5-bromothiophen-2-yl)sulfonyl-2-(3-fluorophenyl)pyrrolidine has a molecular weight of 390.30 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(5-bromothiophen-2-yl)sulfonyl-2-(3-fluorophenyl)pyrrolidine is sourced from PubChem (CID 51855580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).