N-(4-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide

C18H16ClF3N2O3S — CID 3652452

IUPACN-(4-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H16ClF3N2O3S/c19-13-6-8-14(9-7-13)23-17(25)16-5-2-10-24(16)28(26,27)15-4-1-3-12(11-15)18(20,21)22/h1,3-4,6-9,11,16H,2,5,10H2,(H,23,25)
InChIKeyJRORUYCFWSVXRS-UHFFFAOYSA-N
MW432.85 g/mol
LogP4.15
Rot. Bonds4

About N-(4-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide

N-(4-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide (PubChem CID 3652452) has the molecular formula C18H16ClF3N2O3S and a molecular weight of 432.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide
PubChem CID3652452
Molecular FormulaC18H16ClF3N2O3S
Molecular Weight432.85 g/mol
Exact Mass432.05
IUPAC NameN-(4-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H16ClF3N2O3S/c19-13-6-8-14(9-7-13)23-17(25)16-5-2-10-24(16)28(26,27)15-4-1-3-12(11-15)18(20,21)22/h1,3-4,6-9,11,16H,2,5,10H2,(H,23,25)
InChIKeyJRORUYCFWSVXRS-UHFFFAOYSA-N
XLogP4.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.85
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(4-chlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 1487039
N-methyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-2-carboxamide
CID 47026868
1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide
CID 4034649
(2R)-1-(2-chlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 1487050
(2R)-1-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)pyrrolidine-2-carboxamide
CID 40830483
(2R)-1-(4-methoxyphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 41024699
(2S)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide
CID 93100814
(2R)-N-(4-chlorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865501
(2S)-1-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfonylpyrrolidine-2-carboxylic acid
CID 166725245
1-(4-ethoxyphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 16644597
1-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)piperidine-2-carboxamide
CID 4312654
(2S)-1-(4-chlorophenyl)sulfonyl-N-(3-fluorophenyl)piperidine-2-carboxamide
CID 92887679

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide (CID 3652452) is N-(4-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide is O=C(Nc1ccc(Cl)cc1)C1CCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(4-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide?
The InChIKey is JRORUYCFWSVXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N2O3S/c19-13-6-8-14(9-7-13)23-17(25)16-5-2-10-24(16)28(26,27)15-4-1-3-12(11-15)18(20,21)22/h1,3-4,6-9,11,16H,2,5,10H2,(H,23,25).
What are the key properties of N-(4-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide?
N-(4-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide has a molecular weight of 432.85 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 3652452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).