N-(3,4-difluorophenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide

C17H15F3N2O3S — CID 2768773

IUPACN-(3,4-difluorophenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)C1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H15F3N2O3S/c18-11-3-6-13(7-4-11)26(24,25)22-9-1-2-16(22)17(23)21-12-5-8-14(19)15(20)10-12/h3-8,10,16H,1-2,9H2,(H,21,23)
InChIKeyLLOJNLQUVQDNHC-UHFFFAOYSA-N
MW384.38 g/mol
LogP2.90
Rot. Bonds4

About N-(3,4-difluorophenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide

N-(3,4-difluorophenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 2768773) has the molecular formula C17H15F3N2O3S and a molecular weight of 384.38 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID2768773
Molecular FormulaC17H15F3N2O3S
Molecular Weight384.38 g/mol
Exact Mass384.08
IUPAC NameN-(3,4-difluorophenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)C1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H15F3N2O3S/c18-11-3-6-13(7-4-11)26(24,25)22-9-1-2-16(22)17(23)21-12-5-8-14(19)15(20)10-12/h3-8,10,16H,1-2,9H2,(H,21,23)
InChIKeyLLOJNLQUVQDNHC-UHFFFAOYSA-N
XLogP2.90
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide (CID 2768773) is N-(3,4-difluorophenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide is O=C(Nc1ccc(F)c(F)c1)C1CCCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(3,4-difluorophenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is LLOJNLQUVQDNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O3S/c18-11-3-6-13(7-4-11)26(24,25)22-9-1-2-16(22)17(23)21-12-5-8-14(19)15(20)10-12/h3-8,10,16H,1-2,9H2,(H,21,23).
What are the key properties of N-(3,4-difluorophenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
N-(3,4-difluorophenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 384.38 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 2768773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).