(2R)-1-(2-fluorophenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide

C18H19FN2O3S — CID 2119678

IUPAC(2R)-1-(2-fluorophenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2F)cc1
InChIInChI=1S/C18H19FN2O3S/c1-13-8-10-14(11-9-13)20-18(22)16-6-4-12-21(16)25(23,24)17-7-3-2-5-15(17)19/h2-3,5,7-11,16H,4,6,12H2,1H3,(H,20,22)/t16-/m1/s1
InChIKeyFFWRLDAICIARPI-MRXNPFEDSA-N
MW362.43 g/mol
LogP2.93
Rot. Bonds4

About (2R)-1-(2-fluorophenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide

(2R)-1-(2-fluorophenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide (PubChem CID 2119678) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is (2R)-1-(2-fluorophenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(2-fluorophenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
PubChem CID2119678
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC Name(2R)-1-(2-fluorophenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2F)cc1
InChIInChI=1S/C18H19FN2O3S/c1-13-8-10-14(11-9-13)20-18(22)16-6-4-12-21(16)25(23,24)17-7-3-2-5-15(17)19/h2-3,5,7-11,16H,4,6,12H2,1H3,(H,20,22)/t16-/m1/s1
InChIKeyFFWRLDAICIARPI-MRXNPFEDSA-N
XLogP2.93
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 1084740
1-(2-fluorophenyl)sulfonyl-N-(2-hydroxyphenyl)pyrrolidine-2-carboxamide
CID 24644538
1-(2-fluorophenyl)sulfonyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide
CID 24646697
1-(2-fluorophenyl)sulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 24644596
(2S)-N-(2,4-difluorophenyl)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 11936672
(2S)-1-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-2-carboxamide
CID 92887637
(2S)-N-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8744138
(4-methylphenyl)methyl (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate
CID 7569943
1-(4-methylphenyl)sulfonyl-N-(4-methylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 16827882
1-(2-fluorophenyl)sulfonyl-N-prop-2-ynylpyrrolidine-2-carboxamide
CID 24641779
1-(2-fluorophenyl)sulfonyl-N-[1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 24654663
(2S)-1-(2-fluorobenzoyl)-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 92668196

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-fluorophenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(2-fluorophenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide (CID 2119678) is (2R)-1-(2-fluorophenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(2-fluorophenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(2-fluorophenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide is Cc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2F)cc1.
What is the InChIKey of (2R)-1-(2-fluorophenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is FFWRLDAICIARPI-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c1-13-8-10-14(11-9-13)20-18(22)16-6-4-12-21(16)25(23,24)17-7-3-2-5-15(17)19/h2-3,5,7-11,16H,4,6,12H2,1H3,(H,20,22)/t16-/m1/s1.
What are the key properties of (2R)-1-(2-fluorophenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide?
(2R)-1-(2-fluorophenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-fluorophenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 2119678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).