1-[(5-chloro-2-fluorophenyl)methylsulfonyl]pyrrolidine-2-carboxamide

C12H14ClFN2O3S — CID 71918188

IUPAC1-[(5-chloro-2-fluorophenyl)methylsulfonyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1S(=O)(=O)Cc1cc(Cl)ccc1F
InChIInChI=1S/C12H14ClFN2O3S/c13-9-3-4-10(14)8(6-9)7-20(18,19)16-5-1-2-11(16)12(15)17/h3-4,6,11H,1-2,5,7H2,(H2,15,17)
InChIKeyPFXIZZMFMYIZDD-UHFFFAOYSA-N
MW320.77 g/mol
LogP1.26
Rot. Bonds4

About 1-[(5-chloro-2-fluorophenyl)methylsulfonyl]pyrrolidine-2-carboxamide

1-[(5-chloro-2-fluorophenyl)methylsulfonyl]pyrrolidine-2-carboxamide (PubChem CID 71918188) has the molecular formula C12H14ClFN2O3S and a molecular weight of 320.77 g/mol. Its IUPAC name is 1-[(5-chloro-2-fluorophenyl)methylsulfonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(5-chloro-2-fluorophenyl)methylsulfonyl]pyrrolidine-2-carboxamide
PubChem CID71918188
Molecular FormulaC12H14ClFN2O3S
Molecular Weight320.77 g/mol
Exact Mass320.04
IUPAC Name1-[(5-chloro-2-fluorophenyl)methylsulfonyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1S(=O)(=O)Cc1cc(Cl)ccc1F
InChIInChI=1S/C12H14ClFN2O3S/c13-9-3-4-10(14)8(6-9)7-20(18,19)16-5-1-2-11(16)12(15)17/h3-4,6,11H,1-2,5,7H2,(H2,15,17)
InChIKeyPFXIZZMFMYIZDD-UHFFFAOYSA-N
XLogP1.26
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.77
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-fluorophenyl)methylsulfonyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(5-chloro-2-fluorophenyl)methylsulfonyl]pyrrolidine-2-carboxamide (CID 71918188) is 1-[(5-chloro-2-fluorophenyl)methylsulfonyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(5-chloro-2-fluorophenyl)methylsulfonyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(5-chloro-2-fluorophenyl)methylsulfonyl]pyrrolidine-2-carboxamide is NC(=O)C1CCCN1S(=O)(=O)Cc1cc(Cl)ccc1F.
What is the InChIKey of 1-[(5-chloro-2-fluorophenyl)methylsulfonyl]pyrrolidine-2-carboxamide?
The InChIKey is PFXIZZMFMYIZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O3S/c13-9-3-4-10(14)8(6-9)7-20(18,19)16-5-1-2-11(16)12(15)17/h3-4,6,11H,1-2,5,7H2,(H2,15,17).
What are the key properties of 1-[(5-chloro-2-fluorophenyl)methylsulfonyl]pyrrolidine-2-carboxamide?
1-[(5-chloro-2-fluorophenyl)methylsulfonyl]pyrrolidine-2-carboxamide has a molecular weight of 320.77 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-fluorophenyl)methylsulfonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 71918188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).