1-(2-fluorophenyl)sulfonyl-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide

C20H23FN2O3S — CID 4020789

IUPAC1-(2-fluorophenyl)sulfonyl-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2CCCN2S(=O)(=O)c2ccccc2F)cc1
InChIInChI=1S/C20H23FN2O3S/c1-14(2)15-9-11-16(12-10-15)22-20(24)18-7-5-13-23(18)27(25,26)19-8-4-3-6-17(19)21/h3-4,6,8-12,14,18H,5,7,13H2,1-2H3,(H,22,24)
InChIKeyQGSONPBHEZEYQT-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.74
Rot. Bonds5

About 1-(2-fluorophenyl)sulfonyl-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide

1-(2-fluorophenyl)sulfonyl-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide (PubChem CID 4020789) has the molecular formula C20H23FN2O3S and a molecular weight of 390.48 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfonyl-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfonyl-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide
PubChem CID4020789
Molecular FormulaC20H23FN2O3S
Molecular Weight390.48 g/mol
Exact Mass390.14
IUPAC Name1-(2-fluorophenyl)sulfonyl-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2CCCN2S(=O)(=O)c2ccccc2F)cc1
InChIInChI=1S/C20H23FN2O3S/c1-14(2)15-9-11-16(12-10-15)22-20(24)18-7-5-13-23(18)27(25,26)19-8-4-3-6-17(19)21/h3-4,6,8-12,14,18H,5,7,13H2,1-2H3,(H,22,24)
InChIKeyQGSONPBHEZEYQT-UHFFFAOYSA-N
XLogP3.74
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfonyl-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)sulfonyl-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide (CID 4020789) is 1-(2-fluorophenyl)sulfonyl-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)sulfonyl-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)sulfonyl-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide is CC(C)c1ccc(NC(=O)C2CCCN2S(=O)(=O)c2ccccc2F)cc1.
What is the InChIKey of 1-(2-fluorophenyl)sulfonyl-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is QGSONPBHEZEYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3S/c1-14(2)15-9-11-16(12-10-15)22-20(24)18-7-5-13-23(18)27(25,26)19-8-4-3-6-17(19)21/h3-4,6,8-12,14,18H,5,7,13H2,1-2H3,(H,22,24).
What are the key properties of 1-(2-fluorophenyl)sulfonyl-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide?
1-(2-fluorophenyl)sulfonyl-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 390.48 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfonyl-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 4020789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).