[2,4-dichloro-5-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylphenyl]methanol

C14H19Cl2NO3S — CID 83218798

IUPAC[2,4-dichloro-5-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylphenyl]methanol
SMILESCCC1CCC(C)N1S(=O)(=O)c1cc(CO)c(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2NO3S/c1-3-11-5-4-9(2)17(11)21(19,20)14-6-10(8-18)12(15)7-13(14)16/h6-7,9,11,18H,3-5,8H2,1-2H3
InChIKeyRNZKVUBORMMSID-UHFFFAOYSA-N
MW352.28 g/mol
LogP3.44
Rot. Bonds4

About [2,4-dichloro-5-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylphenyl]methanol

[2,4-dichloro-5-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylphenyl]methanol (PubChem CID 83218798) has the molecular formula C14H19Cl2NO3S and a molecular weight of 352.28 g/mol. Its IUPAC name is [2,4-dichloro-5-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylphenyl]methanol.

Molecular Properties

Compound Name[2,4-dichloro-5-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylphenyl]methanol
PubChem CID83218798
Molecular FormulaC14H19Cl2NO3S
Molecular Weight352.28 g/mol
Exact Mass351.05
IUPAC Name[2,4-dichloro-5-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylphenyl]methanol
SMILESCCC1CCC(C)N1S(=O)(=O)c1cc(CO)c(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2NO3S/c1-3-11-5-4-9(2)17(11)21(19,20)14-6-10(8-18)12(15)7-13(14)16/h6-7,9,11,18H,3-5,8H2,1-2H3
InChIKeyRNZKVUBORMMSID-UHFFFAOYSA-N
XLogP3.44
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2,4-dichloro-5-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylphenyl]methanol?
The IUPAC name of [2,4-dichloro-5-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylphenyl]methanol (CID 83218798) is [2,4-dichloro-5-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylphenyl]methanol.
What is the SMILES notation for [2,4-dichloro-5-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylphenyl]methanol?
The canonical SMILES for [2,4-dichloro-5-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylphenyl]methanol is CCC1CCC(C)N1S(=O)(=O)c1cc(CO)c(Cl)cc1Cl.
What is the InChIKey of [2,4-dichloro-5-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylphenyl]methanol?
The InChIKey is RNZKVUBORMMSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO3S/c1-3-11-5-4-9(2)17(11)21(19,20)14-6-10(8-18)12(15)7-13(14)16/h6-7,9,11,18H,3-5,8H2,1-2H3.
What are the key properties of [2,4-dichloro-5-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylphenyl]methanol?
[2,4-dichloro-5-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylphenyl]methanol has a molecular weight of 352.28 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-dichloro-5-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylphenyl]methanol is sourced from PubChem (CID 83218798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).