[1-(4-bromophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanol

C12H16BrNO3S — CID 102786155

IUPAC[1-(4-bromophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(S(=O)(=O)c2ccc(Br)cc2)C1CO
InChIInChI=1S/C12H16BrNO3S/c1-9-6-7-14(12(9)8-15)18(16,17)11-4-2-10(13)3-5-11/h2-5,9,12,15H,6-8H2,1H3
InChIKeyTUWFJKJSVJFYPA-UHFFFAOYSA-N
MW334.24 g/mol
LogP1.84
Rot. Bonds3

About [1-(4-bromophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanol

[1-(4-bromophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102786155) has the molecular formula C12H16BrNO3S and a molecular weight of 334.24 g/mol. Its IUPAC name is [1-(4-bromophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(4-bromophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanol
PubChem CID102786155
Molecular FormulaC12H16BrNO3S
Molecular Weight334.24 g/mol
Exact Mass333.00
IUPAC Name[1-(4-bromophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(S(=O)(=O)c2ccc(Br)cc2)C1CO
InChIInChI=1S/C12H16BrNO3S/c1-9-6-7-14(12(9)8-15)18(16,17)11-4-2-10(13)3-5-11/h2-5,9,12,15H,6-8H2,1H3
InChIKeyTUWFJKJSVJFYPA-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(4-bromophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-methyl-1-[4-(methylamino)phenyl]sulfonylpyrrolidin-2-yl]methanol
CID 102782223
[3-methyl-1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 102786152
[1-[4-(ethylamino)phenyl]sulfonyl-3-methylpyrrolidin-2-yl]methanol
CID 102789177
5-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]sulfonyl-2-methylbenzoic acid
CID 102778354
[1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpyrrolidin-2-yl]methanol
CID 102778534
[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol;ethane
CID 143517096
[1-[(2-amino-4-pyridinyl)sulfonyl]-3-methylpyrrolidin-2-yl]methanol
CID 102789173
[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 3294316
5-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]sulfonyl-2-methylbenzamide
CID 102786347
[1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanol
CID 102786226
[1-(4-bromophenyl)sulfonylpiperidin-2-yl]methanol
CID 43574420
[1-(4-bromophenyl)sulfonylazepan-2-yl]methanol
CID 116636618

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-(4-bromophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanol (CID 102786155) is [1-(4-bromophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(4-bromophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(4-bromophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanol is CC1CCN(S(=O)(=O)c2ccc(Br)cc2)C1CO.
What is the InChIKey of [1-(4-bromophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is TUWFJKJSVJFYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO3S/c1-9-6-7-14(12(9)8-15)18(16,17)11-4-2-10(13)3-5-11/h2-5,9,12,15H,6-8H2,1H3.
What are the key properties of [1-(4-bromophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanol?
[1-(4-bromophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 334.24 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102786155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).