[(2R)-1-(3-amino-2,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanol

C11H14Cl2N2O3S — CID 107212258

IUPAC[(2R)-1-(3-amino-2,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanol
SMILESNc1c(Cl)ccc(S(=O)(=O)N2CCC[C@@H]2CO)c1Cl
InChIInChI=1S/C11H14Cl2N2O3S/c12-8-3-4-9(10(13)11(8)14)19(17,18)15-5-1-2-7(15)6-16/h3-4,7,16H,1-2,5-6,14H2/t7-/m1/s1
InChIKeyXMAWKHXPXNABOZ-SSDOTTSWSA-N
MW325.22 g/mol
LogP1.72
Rot. Bonds3

About [(2R)-1-(3-amino-2,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanol

[(2R)-1-(3-amino-2,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanol (PubChem CID 107212258) has the molecular formula C11H14Cl2N2O3S and a molecular weight of 325.22 g/mol. Its IUPAC name is [(2R)-1-(3-amino-2,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-(3-amino-2,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanol
PubChem CID107212258
Molecular FormulaC11H14Cl2N2O3S
Molecular Weight325.22 g/mol
Exact Mass324.01
IUPAC Name[(2R)-1-(3-amino-2,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanol
SMILESNc1c(Cl)ccc(S(=O)(=O)N2CCC[C@@H]2CO)c1Cl
InChIInChI=1S/C11H14Cl2N2O3S/c12-8-3-4-9(10(13)11(8)14)19(17,18)15-5-1-2-7(15)6-16/h3-4,7,16H,1-2,5-6,14H2/t7-/m1/s1
InChIKeyXMAWKHXPXNABOZ-SSDOTTSWSA-N
XLogP1.72
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.22
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(3-amino-2,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-(3-amino-2,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanol (CID 107212258) is [(2R)-1-(3-amino-2,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-(3-amino-2,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-(3-amino-2,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanol is Nc1c(Cl)ccc(S(=O)(=O)N2CCC[C@@H]2CO)c1Cl.
What is the InChIKey of [(2R)-1-(3-amino-2,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanol?
The InChIKey is XMAWKHXPXNABOZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H14Cl2N2O3S/c12-8-3-4-9(10(13)11(8)14)19(17,18)15-5-1-2-7(15)6-16/h3-4,7,16H,1-2,5-6,14H2/t7-/m1/s1.
What are the key properties of [(2R)-1-(3-amino-2,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanol?
[(2R)-1-(3-amino-2,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanol has a molecular weight of 325.22 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(3-amino-2,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 107212258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).