(4R)-1-(3,5-dichlorophenyl)sulfonyl-4-phenylpyrrolidine-2-carboxylic acid

C17H15Cl2NO4S — CID 20828609

IUPAC(4R)-1-(3,5-dichlorophenyl)sulfonyl-4-phenylpyrrolidine-2-carboxylic acid
SMILESO=C(O)C1C[C@H](c2ccccc2)CN1S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H15Cl2NO4S/c18-13-7-14(19)9-15(8-13)25(23,24)20-10-12(6-16(20)17(21)22)11-4-2-1-3-5-11/h1-5,7-9,12,16H,6,10H2,(H,21,22)/t12-,16?/m0/s1
InChIKeyKYGNVLPSVVYUDB-HKALDPMFSA-N
MW400.28 g/mol
LogP3.62
Rot. Bonds4

About (4R)-1-(3,5-dichlorophenyl)sulfonyl-4-phenylpyrrolidine-2-carboxylic acid

(4R)-1-(3,5-dichlorophenyl)sulfonyl-4-phenylpyrrolidine-2-carboxylic acid (PubChem CID 20828609) has the molecular formula C17H15Cl2NO4S and a molecular weight of 400.28 g/mol. Its IUPAC name is (4R)-1-(3,5-dichlorophenyl)sulfonyl-4-phenylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(4R)-1-(3,5-dichlorophenyl)sulfonyl-4-phenylpyrrolidine-2-carboxylic acid
PubChem CID20828609
Molecular FormulaC17H15Cl2NO4S
Molecular Weight400.28 g/mol
Exact Mass399.01
IUPAC Name(4R)-1-(3,5-dichlorophenyl)sulfonyl-4-phenylpyrrolidine-2-carboxylic acid
SMILESO=C(O)C1C[C@H](c2ccccc2)CN1S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H15Cl2NO4S/c18-13-7-14(19)9-15(8-13)25(23,24)20-10-12(6-16(20)17(21)22)11-4-2-1-3-5-11/h1-5,7-9,12,16H,6,10H2,(H,21,22)/t12-,16?/m0/s1
InChIKeyKYGNVLPSVVYUDB-HKALDPMFSA-N
XLogP3.62
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.28
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4S)-1-(4-chlorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 11869799
1-(3,5-dichlorophenyl)sulfonyl-4-methyl-2-phenylpiperazine
CID 46820976
(2S,4S)-1-(3,5-difluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 64712843
1-(3-chloro-4-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 43241328
(2S,3S)-1-(3,5-dichlorophenyl)sulfonyl-2-methyl-3-phenylpyrrolidine-2-carboxylic acid
CID 69352437
3-(3-chlorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 43113873
1-(3-chloro-5-fluorophenyl)sulfonyl-3,6-dihydro-2H-pyridine-2-carboxylic acid
CID 166293375
(2S)-1-(3-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 45290955
(2R,4R)-1-(3,4-difluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000902
4-phenyl-1-propan-2-ylpyrrolidine-2-carboxylic acid
CID 140531930
(3R)-2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 2356856
(2S,3R)-1-(3,5-dichlorophenyl)sulfonyl-3-(4-iodophenyl)pyrrolidine-2-carboxylic acid
CID 69351376

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(3,5-dichlorophenyl)sulfonyl-4-phenylpyrrolidine-2-carboxylic acid?
The IUPAC name of (4R)-1-(3,5-dichlorophenyl)sulfonyl-4-phenylpyrrolidine-2-carboxylic acid (CID 20828609) is (4R)-1-(3,5-dichlorophenyl)sulfonyl-4-phenylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (4R)-1-(3,5-dichlorophenyl)sulfonyl-4-phenylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (4R)-1-(3,5-dichlorophenyl)sulfonyl-4-phenylpyrrolidine-2-carboxylic acid is O=C(O)C1C[C@H](c2ccccc2)CN1S(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of (4R)-1-(3,5-dichlorophenyl)sulfonyl-4-phenylpyrrolidine-2-carboxylic acid?
The InChIKey is KYGNVLPSVVYUDB-HKALDPMFSA-N. The full InChI is InChI=1S/C17H15Cl2NO4S/c18-13-7-14(19)9-15(8-13)25(23,24)20-10-12(6-16(20)17(21)22)11-4-2-1-3-5-11/h1-5,7-9,12,16H,6,10H2,(H,21,22)/t12-,16?/m0/s1.
What are the key properties of (4R)-1-(3,5-dichlorophenyl)sulfonyl-4-phenylpyrrolidine-2-carboxylic acid?
(4R)-1-(3,5-dichlorophenyl)sulfonyl-4-phenylpyrrolidine-2-carboxylic acid has a molecular weight of 400.28 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(3,5-dichlorophenyl)sulfonyl-4-phenylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 20828609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).