1-(4-bromophenyl)sulfonyl-3-(trifluoromethyl)pyrrolidine

C11H11BrF3NO2S — CID 122530637

IUPAC1-(4-bromophenyl)sulfonyl-3-(trifluoromethyl)pyrrolidine
SMILESO=S(=O)(c1ccc(Br)cc1)N1CCC(C(F)(F)F)C1
InChIInChI=1S/C11H11BrF3NO2S/c12-9-1-3-10(4-2-9)19(17,18)16-6-5-8(7-16)11(13,14)15/h1-4,8H,5-7H2
InChIKeyVUIONURTNPKKKB-UHFFFAOYSA-N
MW358.18 g/mol
LogP3.02
Rot. Bonds2

About 1-(4-bromophenyl)sulfonyl-3-(trifluoromethyl)pyrrolidine

1-(4-bromophenyl)sulfonyl-3-(trifluoromethyl)pyrrolidine (PubChem CID 122530637) has the molecular formula C11H11BrF3NO2S and a molecular weight of 358.18 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-3-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-3-(trifluoromethyl)pyrrolidine
PubChem CID122530637
Molecular FormulaC11H11BrF3NO2S
Molecular Weight358.18 g/mol
Exact Mass356.96
IUPAC Name1-(4-bromophenyl)sulfonyl-3-(trifluoromethyl)pyrrolidine
SMILESO=S(=O)(c1ccc(Br)cc1)N1CCC(C(F)(F)F)C1
InChIInChI=1S/C11H11BrF3NO2S/c12-9-1-3-10(4-2-9)19(17,18)16-6-5-8(7-16)11(13,14)15/h1-4,8H,5-7H2
InChIKeyVUIONURTNPKKKB-UHFFFAOYSA-N
XLogP3.02
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.18
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)sulfonyl-3-(trifluoromethyl)piperidine
CID 2928083
4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylaniline
CID 61126081
3-(bromomethyl)-1-(4-bromophenyl)sulfonylpyrrolidine
CID 80675386
4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylbenzonitrile
CID 47006010
4-bromo-1-(4-bromophenyl)sulfonyl-3-methylpiperidine
CID 114683729
1-(4-bromophenyl)sulfonyl-4-methylpiperidine
CID 3118654
1-(4-bromo-2-fluorophenyl)sulfonyl-3-(trifluoromethyl)piperidine
CID 116528215
1-(4-bromophenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine
CID 63175057
[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methanamine
CID 43605295
(3S)-1-naphthalen-2-ylsulfonyl-3-(trifluoromethyl)piperidine
CID 2082096
1-[1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119977924
1-(4-bromophenyl)sulfonylpiperidine-4-carboxylic acid
CID 737843

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-3-(trifluoromethyl)pyrrolidine?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-3-(trifluoromethyl)pyrrolidine (CID 122530637) is 1-(4-bromophenyl)sulfonyl-3-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-3-(trifluoromethyl)pyrrolidine?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-3-(trifluoromethyl)pyrrolidine is O=S(=O)(c1ccc(Br)cc1)N1CCC(C(F)(F)F)C1.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-3-(trifluoromethyl)pyrrolidine?
The InChIKey is VUIONURTNPKKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF3NO2S/c12-9-1-3-10(4-2-9)19(17,18)16-6-5-8(7-16)11(13,14)15/h1-4,8H,5-7H2.
What are the key properties of 1-(4-bromophenyl)sulfonyl-3-(trifluoromethyl)pyrrolidine?
1-(4-bromophenyl)sulfonyl-3-(trifluoromethyl)pyrrolidine has a molecular weight of 358.18 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonyl-3-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 122530637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).