(2R)-1-[5-chloro-2-(difluoromethoxy)phenyl]sulfonylpyrrolidine-2-carboxylic acid

C12H12ClF2NO5S — CID 122101498

IUPAC(2R)-1-[5-chloro-2-(difluoromethoxy)phenyl]sulfonylpyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1S(=O)(=O)c1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C12H12ClF2NO5S/c13-7-3-4-9(21-12(14)15)10(6-7)22(19,20)16-5-1-2-8(16)11(17)18/h3-4,6,8,12H,1-2,5H2,(H,17,18)/t8-/m1/s1
InChIKeyCTCWTPVBZNNACN-MRVPVSSYSA-N
MW355.75 g/mol
LogP2.18
Rot. Bonds5

About (2R)-1-[5-chloro-2-(difluoromethoxy)phenyl]sulfonylpyrrolidine-2-carboxylic acid

(2R)-1-[5-chloro-2-(difluoromethoxy)phenyl]sulfonylpyrrolidine-2-carboxylic acid (PubChem CID 122101498) has the molecular formula C12H12ClF2NO5S and a molecular weight of 355.75 g/mol. Its IUPAC name is (2R)-1-[5-chloro-2-(difluoromethoxy)phenyl]sulfonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[5-chloro-2-(difluoromethoxy)phenyl]sulfonylpyrrolidine-2-carboxylic acid
PubChem CID122101498
Molecular FormulaC12H12ClF2NO5S
Molecular Weight355.75 g/mol
Exact Mass355.01
IUPAC Name(2R)-1-[5-chloro-2-(difluoromethoxy)phenyl]sulfonylpyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1S(=O)(=O)c1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C12H12ClF2NO5S/c13-7-3-4-9(21-12(14)15)10(6-7)22(19,20)16-5-1-2-8(16)11(17)18/h3-4,6,8,12H,1-2,5H2,(H,17,18)/t8-/m1/s1
InChIKeyCTCWTPVBZNNACN-MRVPVSSYSA-N
XLogP2.18
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.75
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R)-1-[5-chloro-2-(difluoromethoxy)phenyl]sulfonyl-2-methylpiperidine-3-carboxylic acid
CID 122104707
1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 122068626
(2R)-1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 122069689
(2R)-1-(4-chloro-2-fluorophenyl)sulfonylpiperidine-2-carboxylic acid
CID 79034860
1-(4-chloro-2-fluorophenyl)sulfonylazepane-2-carboxylic acid
CID 64559200
1-(4-chloro-2-methylphenyl)sulfonylpiperidine-2-carboxylic acid
CID 43361310
(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 103862650
(2R)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 103862709
1-(2,4,6-trichlorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 43361188
(2S)-1-(3-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 45290955
(2R,3R)-1-(2,5-dichlorophenyl)sulfonyl-2-methylpiperidine-3-carboxylic acid
CID 122105470
1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 43084223

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[5-chloro-2-(difluoromethoxy)phenyl]sulfonylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[5-chloro-2-(difluoromethoxy)phenyl]sulfonylpyrrolidine-2-carboxylic acid (CID 122101498) is (2R)-1-[5-chloro-2-(difluoromethoxy)phenyl]sulfonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[5-chloro-2-(difluoromethoxy)phenyl]sulfonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[5-chloro-2-(difluoromethoxy)phenyl]sulfonylpyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1S(=O)(=O)c1cc(Cl)ccc1OC(F)F.
What is the InChIKey of (2R)-1-[5-chloro-2-(difluoromethoxy)phenyl]sulfonylpyrrolidine-2-carboxylic acid?
The InChIKey is CTCWTPVBZNNACN-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H12ClF2NO5S/c13-7-3-4-9(21-12(14)15)10(6-7)22(19,20)16-5-1-2-8(16)11(17)18/h3-4,6,8,12H,1-2,5H2,(H,17,18)/t8-/m1/s1.
What are the key properties of (2R)-1-[5-chloro-2-(difluoromethoxy)phenyl]sulfonylpyrrolidine-2-carboxylic acid?
(2R)-1-[5-chloro-2-(difluoromethoxy)phenyl]sulfonylpyrrolidine-2-carboxylic acid has a molecular weight of 355.75 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[5-chloro-2-(difluoromethoxy)phenyl]sulfonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 122101498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).