(2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide

C19H16ClF3N2O4S — CID 2212166

IUPAC(2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1
InChIInChI=1S/C19H16ClF3N2O4S/c1-11-2-5-13(6-3-11)30(28,29)25-16(8-9-17(25)26)18(27)24-15-10-12(19(21,22)23)4-7-14(15)20/h2-7,10,16H,8-9H2,1H3,(H,24,27)/t16-/m1/s1
InChIKeyVWQASHNERSTIBW-MRXNPFEDSA-N
MW460.86 g/mol
LogP3.99
Rot. Bonds4

About (2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide

(2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 2212166) has the molecular formula C19H16ClF3N2O4S and a molecular weight of 460.86 g/mol. Its IUPAC name is (2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
PubChem CID2212166
Molecular FormulaC19H16ClF3N2O4S
Molecular Weight460.86 g/mol
Exact Mass460.05
IUPAC Name(2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1
InChIInChI=1S/C19H16ClF3N2O4S/c1-11-2-5-13(6-3-11)30(28,29)25-16(8-9-17(25)26)18(27)24-15-10-12(19(21,22)23)4-7-14(15)20/h2-7,10,16H,8-9H2,1H3,(H,24,27)/t16-/m1/s1
InChIKeyVWQASHNERSTIBW-MRXNPFEDSA-N
XLogP3.99
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.86
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(5-chloro-2,4-dimethoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 92751822
(2R)-N-(2,5-dimethylphenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 92850386
(2R)-N-(2-fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 92712425
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110424566
2-[[(2S)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carbonyl]amino]benzoate
CID 6987638
N-(2,4-dimethoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 2957869
(2R)-N-(3,4-dimethylphenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 1294852
(2S)-N-(3-fluoro-4-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 93072342
(2R)-N-cyclopropyl-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 27260603
(5R)-1-(4-methylphenyl)sulfonyl-5-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 93059294
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 2200897
(2S)-1-(4-methylphenyl)sulfonyl-N-(3-methylsulfanylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 95074289

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide (CID 2212166) is (2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide is Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1.
What is the InChIKey of (2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is VWQASHNERSTIBW-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H16ClF3N2O4S/c1-11-2-5-13(6-3-11)30(28,29)25-16(8-9-17(25)26)18(27)24-15-10-12(19(21,22)23)4-7-14(15)20/h2-7,10,16H,8-9H2,1H3,(H,24,27)/t16-/m1/s1.
What are the key properties of (2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide?
(2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 460.86 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 2212166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).