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

C18H18F2N2O3S — CID 43814272

IUPACN-[(4-fluorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H18F2N2O3S/c19-14-5-3-13(4-6-14)12-21-18(23)17-2-1-11-22(17)26(24,25)16-9-7-15(20)8-10-16/h3-10,17H,1-2,11-12H2,(H,21,23)
InChIKeyZYXQVWDGWOFMEN-UHFFFAOYSA-N
MW380.42 g/mol
LogP2.43
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 43814272) has the molecular formula C18H18F2N2O3S and a molecular weight of 380.42 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID43814272
Molecular FormulaC18H18F2N2O3S
Molecular Weight380.42 g/mol
Exact Mass380.10
IUPAC NameN-[(4-fluorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H18F2N2O3S/c19-14-5-3-13(4-6-14)12-21-18(23)17-2-1-11-22(17)26(24,25)16-9-7-15(20)8-10-16/h3-10,17H,1-2,11-12H2,(H,21,23)
InChIKeyZYXQVWDGWOFMEN-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-[(4-fluorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide (CID 43814272) is N-[(4-fluorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide is O=C(NCc1ccc(F)cc1)C1CCCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is ZYXQVWDGWOFMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O3S/c19-14-5-3-13(4-6-14)12-21-18(23)17-2-1-11-22(17)26(24,25)16-9-7-15(20)8-10-16/h3-10,17H,1-2,11-12H2,(H,21,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
N-[(4-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-[(4-fluorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 43814272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).