(3R)-1-(2-chloro-4-fluorophenyl)sulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol

C11H10ClF4NO3S — CID 97239536

IUPAC(3R)-1-(2-chloro-4-fluorophenyl)sulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESO=S(=O)(c1ccc(F)cc1Cl)N1CC[C@](O)(C(F)(F)F)C1
InChIInChI=1S/C11H10ClF4NO3S/c12-8-5-7(13)1-2-9(8)21(19,20)17-4-3-10(18,6-17)11(14,15)16/h1-2,5,18H,3-4,6H2/t10-/m1/s1
InChIKeyVPUKPLCPFFPFBZ-SNVBAGLBSA-N
MW347.72 g/mol
LogP2.17
Rot. Bonds2

About (3R)-1-(2-chloro-4-fluorophenyl)sulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol

(3R)-1-(2-chloro-4-fluorophenyl)sulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol (PubChem CID 97239536) has the molecular formula C11H10ClF4NO3S and a molecular weight of 347.72 g/mol. Its IUPAC name is (3R)-1-(2-chloro-4-fluorophenyl)sulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(2-chloro-4-fluorophenyl)sulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol
PubChem CID97239536
Molecular FormulaC11H10ClF4NO3S
Molecular Weight347.72 g/mol
Exact Mass347.00
IUPAC Name(3R)-1-(2-chloro-4-fluorophenyl)sulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESO=S(=O)(c1ccc(F)cc1Cl)N1CC[C@](O)(C(F)(F)F)C1
InChIInChI=1S/C11H10ClF4NO3S/c12-8-5-7(13)1-2-9(8)21(19,20)17-4-3-10(18,6-17)11(14,15)16/h1-2,5,18H,3-4,6H2/t10-/m1/s1
InChIKeyVPUKPLCPFFPFBZ-SNVBAGLBSA-N
XLogP2.17
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.72
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-chloro-4-fluorophenyl)sulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol?
The IUPAC name of (3R)-1-(2-chloro-4-fluorophenyl)sulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol (CID 97239536) is (3R)-1-(2-chloro-4-fluorophenyl)sulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-(2-chloro-4-fluorophenyl)sulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-(2-chloro-4-fluorophenyl)sulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol is O=S(=O)(c1ccc(F)cc1Cl)N1CC[C@](O)(C(F)(F)F)C1.
What is the InChIKey of (3R)-1-(2-chloro-4-fluorophenyl)sulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol?
The InChIKey is VPUKPLCPFFPFBZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H10ClF4NO3S/c12-8-5-7(13)1-2-9(8)21(19,20)17-4-3-10(18,6-17)11(14,15)16/h1-2,5,18H,3-4,6H2/t10-/m1/s1.
What are the key properties of (3R)-1-(2-chloro-4-fluorophenyl)sulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol?
(3R)-1-(2-chloro-4-fluorophenyl)sulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol has a molecular weight of 347.72 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-chloro-4-fluorophenyl)sulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol is sourced from PubChem (CID 97239536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).