N-[(2-fluorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide

C18H18F2N2O3S — CID 18144558

IUPACN-[(2-fluorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESO=C(NCc1ccccc1F)C1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H18F2N2O3S/c19-14-7-9-15(10-8-14)26(24,25)22-11-3-6-17(22)18(23)21-12-13-4-1-2-5-16(13)20/h1-2,4-5,7-10,17H,3,6,11-12H2,(H,21,23)
InChIKeyQQXLBECCXXMGLK-UHFFFAOYSA-N
MW380.42 g/mol
LogP2.43
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide

N-[(2-fluorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 18144558) has the molecular formula C18H18F2N2O3S and a molecular weight of 380.42 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID18144558
Molecular FormulaC18H18F2N2O3S
Molecular Weight380.42 g/mol
Exact Mass380.10
IUPAC NameN-[(2-fluorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESO=C(NCc1ccccc1F)C1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H18F2N2O3S/c19-14-7-9-15(10-8-14)26(24,25)22-11-3-6-17(22)18(23)21-12-13-4-1-2-5-16(13)20/h1-2,4-5,7-10,17H,3,6,11-12H2,(H,21,23)
InChIKeyQQXLBECCXXMGLK-UHFFFAOYSA-N
XLogP2.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide (CID 18144558) is N-[(2-fluorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide is O=C(NCc1ccccc1F)C1CCCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is QQXLBECCXXMGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O3S/c19-14-7-9-15(10-8-14)26(24,25)22-11-3-6-17(22)18(23)21-12-13-4-1-2-5-16(13)20/h1-2,4-5,7-10,17H,3,6,11-12H2,(H,21,23).
What are the key properties of N-[(2-fluorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
N-[(2-fluorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 18144558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).