[1-(4-bromo-3-methylphenyl)sulfonylpyrrolidin-2-yl]methanol

C12H16BrNO3S — CID 61409204

IUPAC[1-(4-bromo-3-methylphenyl)sulfonylpyrrolidin-2-yl]methanol
SMILESCc1cc(S(=O)(=O)N2CCCC2CO)ccc1Br
InChIInChI=1S/C12H16BrNO3S/c1-9-7-11(4-5-12(9)13)18(16,17)14-6-2-3-10(14)8-15/h4-5,7,10,15H,2-3,6,8H2,1H3
InChIKeyYUJKIGTTZFRPAM-UHFFFAOYSA-N
MW334.24 g/mol
LogP1.90
Rot. Bonds3

About [1-(4-bromo-3-methylphenyl)sulfonylpyrrolidin-2-yl]methanol

[1-(4-bromo-3-methylphenyl)sulfonylpyrrolidin-2-yl]methanol (PubChem CID 61409204) has the molecular formula C12H16BrNO3S and a molecular weight of 334.24 g/mol. Its IUPAC name is [1-(4-bromo-3-methylphenyl)sulfonylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(4-bromo-3-methylphenyl)sulfonylpyrrolidin-2-yl]methanol
PubChem CID61409204
Molecular FormulaC12H16BrNO3S
Molecular Weight334.24 g/mol
Exact Mass333.00
IUPAC Name[1-(4-bromo-3-methylphenyl)sulfonylpyrrolidin-2-yl]methanol
SMILESCc1cc(S(=O)(=O)N2CCCC2CO)ccc1Br
InChIInChI=1S/C12H16BrNO3S/c1-9-7-11(4-5-12(9)13)18(16,17)14-6-2-3-10(14)8-15/h4-5,7,10,15H,2-3,6,8H2,1H3
InChIKeyYUJKIGTTZFRPAM-UHFFFAOYSA-N
XLogP1.90
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-(3-methyl-4-propan-2-yloxyphenyl)sulfonylpyrrolidin-2-yl]methanol
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CID 61409059
[(2S)-1-(3-bromo-4-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 71911370
[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol;ethane
CID 143517096
[1-(3-amino-4-bromophenyl)sulfonylpiperidin-2-yl]methanol
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[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 3294316
[1-(2,5-dibromo-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 81326897
1-(3,4-dimethylphenyl)sulfonyl-2-ethylpyrrolidine
CID 110429015
(2S)-1-(4-bromo-3-methylphenyl)sulfonyl-2-methoxypyrrolidine
CID 175298932
[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 3809437
[1-(3-bromo-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988723
[1-(4-methoxy-3-methylphenyl)sulfonylazepan-2-yl]methanol
CID 116636629

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-3-methylphenyl)sulfonylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-(4-bromo-3-methylphenyl)sulfonylpyrrolidin-2-yl]methanol (CID 61409204) is [1-(4-bromo-3-methylphenyl)sulfonylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(4-bromo-3-methylphenyl)sulfonylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(4-bromo-3-methylphenyl)sulfonylpyrrolidin-2-yl]methanol is Cc1cc(S(=O)(=O)N2CCCC2CO)ccc1Br.
What is the InChIKey of [1-(4-bromo-3-methylphenyl)sulfonylpyrrolidin-2-yl]methanol?
The InChIKey is YUJKIGTTZFRPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO3S/c1-9-7-11(4-5-12(9)13)18(16,17)14-6-2-3-10(14)8-15/h4-5,7,10,15H,2-3,6,8H2,1H3.
What are the key properties of [1-(4-bromo-3-methylphenyl)sulfonylpyrrolidin-2-yl]methanol?
[1-(4-bromo-3-methylphenyl)sulfonylpyrrolidin-2-yl]methanol has a molecular weight of 334.24 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-3-methylphenyl)sulfonylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 61409204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).