[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol;ethane

C13H20BrNO3S — CID 143517096

IUPAC[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol;ethane
SMILESCC.O=S(=O)(c1ccc(Br)cc1)N1CCCC1CO
InChIInChI=1S/C11H14BrNO3S.C2H6/c12-9-3-5-11(6-4-9)17(15,16)13-7-1-2-10(13)8-14;1-2/h3-6,10,14H,1-2,7-8H2;1-2H3
InChIKeyOEHLWQVPOYZBMV-UHFFFAOYSA-N
MW350.28 g/mol
LogP2.62
Rot. Bonds3

About [1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol;ethane

[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol;ethane (PubChem CID 143517096) has the molecular formula C13H20BrNO3S and a molecular weight of 350.28 g/mol. Its IUPAC name is [1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol;ethane.

Molecular Properties

Compound Name[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol;ethane
PubChem CID143517096
Molecular FormulaC13H20BrNO3S
Molecular Weight350.28 g/mol
Exact Mass349.03
IUPAC Name[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol;ethane
SMILESCC.O=S(=O)(c1ccc(Br)cc1)N1CCCC1CO
InChIInChI=1S/C11H14BrNO3S.C2H6/c12-9-3-5-11(6-4-9)17(15,16)13-7-1-2-10(13)8-14;1-2/h3-6,10,14H,1-2,7-8H2;1-2H3
InChIKeyOEHLWQVPOYZBMV-UHFFFAOYSA-N
XLogP2.62
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.28
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol;ethane?
The IUPAC name of [1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol;ethane (CID 143517096) is [1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol;ethane.
What is the SMILES notation for [1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol;ethane?
The canonical SMILES for [1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol;ethane is CC.O=S(=O)(c1ccc(Br)cc1)N1CCCC1CO.
What is the InChIKey of [1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol;ethane?
The InChIKey is OEHLWQVPOYZBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3S.C2H6/c12-9-3-5-11(6-4-9)17(15,16)13-7-1-2-10(13)8-14;1-2/h3-6,10,14H,1-2,7-8H2;1-2H3.
What are the key properties of [1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol;ethane?
[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol;ethane has a molecular weight of 350.28 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol;ethane is sourced from PubChem (CID 143517096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).