(2S)-1-(2-fluorophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide

C19H21FN2O4S — CID 2457707

IUPAC(2S)-1-(2-fluorophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F
InChIInChI=1S/C19H21FN2O4S/c1-26-17-10-4-2-7-14(17)13-21-19(23)16-9-6-12-22(16)27(24,25)18-11-5-3-8-15(18)20/h2-5,7-8,10-11,16H,6,9,12-13H2,1H3,(H,21,23)/t16-/m0/s1
InChIKeyPDTWACUHZZTASM-INIZCTEOSA-N
MW392.45 g/mol
LogP2.30
Rot. Bonds6

About (2S)-1-(2-fluorophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide

(2S)-1-(2-fluorophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 2457707) has the molecular formula C19H21FN2O4S and a molecular weight of 392.45 g/mol. Its IUPAC name is (2S)-1-(2-fluorophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(2-fluorophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID2457707
Molecular FormulaC19H21FN2O4S
Molecular Weight392.45 g/mol
Exact Mass392.12
IUPAC Name(2S)-1-(2-fluorophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F
InChIInChI=1S/C19H21FN2O4S/c1-26-17-10-4-2-7-14(17)13-21-19(23)16-9-6-12-22(16)27(24,25)18-11-5-3-8-15(18)20/h2-5,7-8,10-11,16H,6,9,12-13H2,1H3,(H,21,23)/t16-/m0/s1
InChIKeyPDTWACUHZZTASM-INIZCTEOSA-N
XLogP2.30
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-fluorophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(2-fluorophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide (CID 2457707) is (2S)-1-(2-fluorophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(2-fluorophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(2-fluorophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide is COc1ccccc1CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F.
What is the InChIKey of (2S)-1-(2-fluorophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is PDTWACUHZZTASM-INIZCTEOSA-N. The full InChI is InChI=1S/C19H21FN2O4S/c1-26-17-10-4-2-7-14(17)13-21-19(23)16-9-6-12-22(16)27(24,25)18-11-5-3-8-15(18)20/h2-5,7-8,10-11,16H,6,9,12-13H2,1H3,(H,21,23)/t16-/m0/s1.
What are the key properties of (2S)-1-(2-fluorophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide?
(2S)-1-(2-fluorophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 392.45 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-fluorophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 2457707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).