1-(2,4,5-trichlorophenyl)sulfonylpyrrolidine

C10H10Cl3NO2S — CID 730794

IUPAC1-(2,4,5-trichlorophenyl)sulfonylpyrrolidine
SMILESO=S(=O)(c1cc(Cl)c(Cl)cc1Cl)N1CCCC1
InChIInChI=1S/C10H10Cl3NO2S/c11-7-5-9(13)10(6-8(7)12)17(15,16)14-3-1-2-4-14/h5-6H,1-4H2
InChIKeyWDCKKWKDDKVXFV-UHFFFAOYSA-N
MW314.62 g/mol
LogP3.43
Rot. Bonds2

About 1-(2,4,5-trichlorophenyl)sulfonylpyrrolidine

1-(2,4,5-trichlorophenyl)sulfonylpyrrolidine (PubChem CID 730794) has the molecular formula C10H10Cl3NO2S and a molecular weight of 314.62 g/mol. Its IUPAC name is 1-(2,4,5-trichlorophenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name1-(2,4,5-trichlorophenyl)sulfonylpyrrolidine
PubChem CID730794
Molecular FormulaC10H10Cl3NO2S
Molecular Weight314.62 g/mol
Exact Mass312.95
IUPAC Name1-(2,4,5-trichlorophenyl)sulfonylpyrrolidine
SMILESO=S(=O)(c1cc(Cl)c(Cl)cc1Cl)N1CCCC1
InChIInChI=1S/C10H10Cl3NO2S/c11-7-5-9(13)10(6-8(7)12)17(15,16)14-3-1-2-4-14/h5-6H,1-4H2
InChIKeyWDCKKWKDDKVXFV-UHFFFAOYSA-N
XLogP3.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.62
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4,5-trichlorophenyl)sulfonylpyrrolidine?
The IUPAC name of 1-(2,4,5-trichlorophenyl)sulfonylpyrrolidine (CID 730794) is 1-(2,4,5-trichlorophenyl)sulfonylpyrrolidine.
What is the SMILES notation for 1-(2,4,5-trichlorophenyl)sulfonylpyrrolidine?
The canonical SMILES for 1-(2,4,5-trichlorophenyl)sulfonylpyrrolidine is O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)N1CCCC1.
What is the InChIKey of 1-(2,4,5-trichlorophenyl)sulfonylpyrrolidine?
The InChIKey is WDCKKWKDDKVXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl3NO2S/c11-7-5-9(13)10(6-8(7)12)17(15,16)14-3-1-2-4-14/h5-6H,1-4H2.
What are the key properties of 1-(2,4,5-trichlorophenyl)sulfonylpyrrolidine?
1-(2,4,5-trichlorophenyl)sulfonylpyrrolidine has a molecular weight of 314.62 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,5-trichlorophenyl)sulfonylpyrrolidine is sourced from PubChem (CID 730794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).