N-(4-bromophenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide

C17H16BrFN2O3S — CID 2947267

IUPACN-(4-bromophenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)C1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H16BrFN2O3S/c18-12-3-7-14(8-4-12)20-17(22)16-2-1-11-21(16)25(23,24)15-9-5-13(19)6-10-15/h3-10,16H,1-2,11H2,(H,20,22)
InChIKeyNUGSGYLTEWRFCE-UHFFFAOYSA-N
MW427.30 g/mol
LogP3.38
Rot. Bonds4

About N-(4-bromophenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide

N-(4-bromophenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 2947267) has the molecular formula C17H16BrFN2O3S and a molecular weight of 427.30 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID2947267
Molecular FormulaC17H16BrFN2O3S
Molecular Weight427.30 g/mol
Exact Mass426.00
IUPAC NameN-(4-bromophenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)C1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H16BrFN2O3S/c18-12-3-7-14(8-4-12)20-17(22)16-2-1-11-21(16)25(23,24)15-9-5-13(19)6-10-15/h3-10,16H,1-2,11H2,(H,20,22)
InChIKeyNUGSGYLTEWRFCE-UHFFFAOYSA-N
XLogP3.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.30
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(4-bromophenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide (CID 2947267) is N-(4-bromophenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide is O=C(Nc1ccc(Br)cc1)C1CCCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(4-bromophenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is NUGSGYLTEWRFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFN2O3S/c18-12-3-7-14(8-4-12)20-17(22)16-2-1-11-21(16)25(23,24)15-9-5-13(19)6-10-15/h3-10,16H,1-2,11H2,(H,20,22).
What are the key properties of N-(4-bromophenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
N-(4-bromophenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 427.30 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 2947267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).