1-(4-fluorophenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide

C12H15FN2O3S — CID 2948540

IUPAC1-(4-fluorophenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H15FN2O3S/c1-14-12(16)11-3-2-8-15(11)19(17,18)10-6-4-9(13)5-7-10/h4-7,11H,2-3,8H2,1H3,(H,14,16)
InChIKeyUXNUXMJMBKVIPW-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.72
Rot. Bonds3

About 1-(4-fluorophenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide

1-(4-fluorophenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide (PubChem CID 2948540) has the molecular formula C12H15FN2O3S and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide
PubChem CID2948540
Molecular FormulaC12H15FN2O3S
Molecular Weight286.33 g/mol
Exact Mass286.08
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H15FN2O3S/c1-14-12(16)11-3-2-8-15(11)19(17,18)10-6-4-9(13)5-7-10/h4-7,11H,2-3,8H2,1H3,(H,14,16)
InChIKeyUXNUXMJMBKVIPW-UHFFFAOYSA-N
XLogP0.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.72
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-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide (CID 2948540) is 1-(4-fluorophenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide?
The InChIKey is UXNUXMJMBKVIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3S/c1-14-12(16)11-3-2-8-15(11)19(17,18)10-6-4-9(13)5-7-10/h4-7,11H,2-3,8H2,1H3,(H,14,16).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide?
1-(4-fluorophenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 0.72, 3 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-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 2948540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).