[1-(2,6-dichloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]methanol

C12H15Cl2NO3S — CID 71103813

IUPAC[1-(2,6-dichloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
SMILESCc1cc(Cl)c(S(=O)(=O)N2CCC(CO)C2)c(Cl)c1
InChIInChI=1S/C12H15Cl2NO3S/c1-8-4-10(13)12(11(14)5-8)19(17,18)15-3-2-9(6-15)7-16/h4-5,9,16H,2-3,6-7H2,1H3
InChIKeyGSKXMHBZSTWESC-UHFFFAOYSA-N
MW324.23 g/mol
LogP2.30
Rot. Bonds3

About [1-(2,6-dichloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]methanol

[1-(2,6-dichloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]methanol (PubChem CID 71103813) has the molecular formula C12H15Cl2NO3S and a molecular weight of 324.23 g/mol. Its IUPAC name is [1-(2,6-dichloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(2,6-dichloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
PubChem CID71103813
Molecular FormulaC12H15Cl2NO3S
Molecular Weight324.23 g/mol
Exact Mass323.01
IUPAC Name[1-(2,6-dichloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
SMILESCc1cc(Cl)c(S(=O)(=O)N2CCC(CO)C2)c(Cl)c1
InChIInChI=1S/C12H15Cl2NO3S/c1-8-4-10(13)12(11(14)5-8)19(17,18)15-3-2-9(6-15)7-16/h4-5,9,16H,2-3,6-7H2,1H3
InChIKeyGSKXMHBZSTWESC-UHFFFAOYSA-N
XLogP2.30
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.23
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2,6-dichloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]methanol?
The IUPAC name of [1-(2,6-dichloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]methanol (CID 71103813) is [1-(2,6-dichloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(2,6-dichloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(2,6-dichloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]methanol is Cc1cc(Cl)c(S(=O)(=O)N2CCC(CO)C2)c(Cl)c1.
What is the InChIKey of [1-(2,6-dichloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]methanol?
The InChIKey is GSKXMHBZSTWESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO3S/c1-8-4-10(13)12(11(14)5-8)19(17,18)15-3-2-9(6-15)7-16/h4-5,9,16H,2-3,6-7H2,1H3.
What are the key properties of [1-(2,6-dichloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]methanol?
[1-(2,6-dichloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]methanol has a molecular weight of 324.23 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-dichloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 71103813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).