(2R)-N-[2-(4-chlorophenyl)ethyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide

C19H20Cl2N2O3S — CID 1442033

IUPAC(2R)-N-[2-(4-chlorophenyl)ethyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H20Cl2N2O3S/c20-15-5-3-14(4-6-15)11-12-22-19(24)18-2-1-13-23(18)27(25,26)17-9-7-16(21)8-10-17/h3-10,18H,1-2,11-13H2,(H,22,24)/t18-/m1/s1
InChIKeyOQHABDZJXHIRJU-GOSISDBHSA-N
MW427.35 g/mol
LogP3.51
Rot. Bonds6

About (2R)-N-[2-(4-chlorophenyl)ethyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide

(2R)-N-[2-(4-chlorophenyl)ethyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 1442033) has the molecular formula C19H20Cl2N2O3S and a molecular weight of 427.35 g/mol. Its IUPAC name is (2R)-N-[2-(4-chlorophenyl)ethyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-(4-chlorophenyl)ethyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID1442033
Molecular FormulaC19H20Cl2N2O3S
Molecular Weight427.35 g/mol
Exact Mass426.06
IUPAC Name(2R)-N-[2-(4-chlorophenyl)ethyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H20Cl2N2O3S/c20-15-5-3-14(4-6-15)11-12-22-19(24)18-2-1-13-23(18)27(25,26)17-9-7-16(21)8-10-17/h3-10,18H,1-2,11-13H2,(H,22,24)/t18-/m1/s1
InChIKeyOQHABDZJXHIRJU-GOSISDBHSA-N
XLogP3.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(4-chlorophenyl)sulfonyl-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 8795067
(2S)-N-butyl-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 34230666
1-(4-chlorophenyl)sulfonyl-N-(3-methylbutyl)pyrrolidine-2-carboxamide
CID 3219681
(2S)-1-(4-fluorophenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 26644505
(2S)-1-(4-methylphenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 24537150
(2S)-1-(4-chlorophenyl)sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]piperidine-2-carboxamide
CID 92887732
1-(4-bromophenyl)sulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 24654361
N-[2-(4-chlorophenyl)ethyl]-1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]pyrrolidine-2-carboxamide
CID 20937190
(2R)-1-(4-chlorophenyl)sulfonyl-N-[3-(dimethylamino)propyl]pyrrolidine-2-carboxamide
CID 8794951
1-(4-chlorophenyl)sulfonyl-N-(3-ethoxypropyl)pyrrolidine-2-carboxamide
CID 653737
N-(2-benzylsulfanylethyl)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 132671768
(2S)-1-(4-chlorophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 1468641

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(4-chlorophenyl)ethyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[2-(4-chlorophenyl)ethyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide (CID 1442033) is (2R)-N-[2-(4-chlorophenyl)ethyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[2-(4-chlorophenyl)ethyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[2-(4-chlorophenyl)ethyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide is O=C(NCCc1ccc(Cl)cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-N-[2-(4-chlorophenyl)ethyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is OQHABDZJXHIRJU-GOSISDBHSA-N. The full InChI is InChI=1S/C19H20Cl2N2O3S/c20-15-5-3-14(4-6-15)11-12-22-19(24)18-2-1-13-23(18)27(25,26)17-9-7-16(21)8-10-17/h3-10,18H,1-2,11-13H2,(H,22,24)/t18-/m1/s1.
What are the key properties of (2R)-N-[2-(4-chlorophenyl)ethyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide?
(2R)-N-[2-(4-chlorophenyl)ethyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 427.35 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(4-chlorophenyl)ethyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 1442033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).