1-(4-fluorophenyl)sulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide

C14H19FN2O3S — CID 3219588

IUPAC1-(4-fluorophenyl)sulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)NC(=O)C1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H19FN2O3S/c1-10(2)16-14(18)13-4-3-9-17(13)21(19,20)12-7-5-11(15)6-8-12/h5-8,10,13H,3-4,9H2,1-2H3,(H,16,18)
InChIKeyMTBOSOVKTIUMBT-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.50
Rot. Bonds4

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

1-(4-fluorophenyl)sulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 3219588) has the molecular formula C14H19FN2O3S and a molecular weight of 314.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID3219588
Molecular FormulaC14H19FN2O3S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)NC(=O)C1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H19FN2O3S/c1-10(2)16-14(18)13-4-3-9-17(13)21(19,20)12-7-5-11(15)6-8-12/h5-8,10,13H,3-4,9H2,1-2H3,(H,16,18)
InChIKeyMTBOSOVKTIUMBT-UHFFFAOYSA-N
XLogP1.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide (CID 3219588) is 1-(4-fluorophenyl)sulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide is CC(C)NC(=O)C1CCCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is MTBOSOVKTIUMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3S/c1-10(2)16-14(18)13-4-3-9-17(13)21(19,20)12-7-5-11(15)6-8-12/h5-8,10,13H,3-4,9H2,1-2H3,(H,16,18).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide?
1-(4-fluorophenyl)sulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 314.38 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 3219588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).