[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]methanol

C11H14BrNO3S — CID 3809437

IUPAC[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]methanol
SMILESO=S(=O)(c1cccc(Br)c1)N1CCCC1CO
InChIInChI=1S/C11H14BrNO3S/c12-9-3-1-5-11(7-9)17(15,16)13-6-2-4-10(13)8-14/h1,3,5,7,10,14H,2,4,6,8H2
InChIKeyTWSJFOGJUXBMKM-UHFFFAOYSA-N
MW320.21 g/mol
LogP1.59
Rot. Bonds3

About [1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]methanol

[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]methanol (PubChem CID 3809437) has the molecular formula C11H14BrNO3S and a molecular weight of 320.21 g/mol. Its IUPAC name is [1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]methanol
PubChem CID3809437
Molecular FormulaC11H14BrNO3S
Molecular Weight320.21 g/mol
Exact Mass318.99
IUPAC Name[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]methanol
SMILESO=S(=O)(c1cccc(Br)c1)N1CCCC1CO
InChIInChI=1S/C11H14BrNO3S/c12-9-3-1-5-11(7-9)17(15,16)13-6-2-4-10(13)8-14/h1,3,5,7,10,14H,2,4,6,8H2
InChIKeyTWSJFOGJUXBMKM-UHFFFAOYSA-N
XLogP1.59
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988893
[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 3294316
[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol;ethane
CID 143517096
1-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 79028773
1-[3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 66260795
[(2S)-1-[(5-bromo-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]methanol
CID 66260969
(4aS,8aS)-1-(3-bromophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 11926523
[1-(4-bromo-3-methylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61409204
[(2S)-1-(3-bromo-4-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 71911370
[1-(4-bromophenyl)sulfonylpiperidin-2-yl]methanol
CID 43574420
[1-(3-thiophen-2-ylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 175606970
[1-(4-bromophenyl)sulfonylazepan-2-yl]methanol
CID 116636618

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]methanol (CID 3809437) is [1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]methanol is O=S(=O)(c1cccc(Br)c1)N1CCCC1CO.
What is the InChIKey of [1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]methanol?
The InChIKey is TWSJFOGJUXBMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3S/c12-9-3-1-5-11(7-9)17(15,16)13-6-2-4-10(13)8-14/h1,3,5,7,10,14H,2,4,6,8H2.
What are the key properties of [1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]methanol?
[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]methanol has a molecular weight of 320.21 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 3809437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).