N-(5-bromo-2-fluorophenyl)-1-pyrrolidin-2-ylmethanesulfonamide

C11H14BrFN2O2S — CID 54972028

IUPACN-(5-bromo-2-fluorophenyl)-1-pyrrolidin-2-ylmethanesulfonamide
SMILESO=S(=O)(CC1CCCN1)Nc1cc(Br)ccc1F
InChIInChI=1S/C11H14BrFN2O2S/c12-8-3-4-10(13)11(6-8)15-18(16,17)7-9-2-1-5-14-9/h3-4,6,9,14-15H,1-2,5,7H2
InChIKeyZDPSUYOXAAUPJV-UHFFFAOYSA-N
MW337.21 g/mol
LogP2.08
Rot. Bonds4

About N-(5-bromo-2-fluorophenyl)-1-pyrrolidin-2-ylmethanesulfonamide

N-(5-bromo-2-fluorophenyl)-1-pyrrolidin-2-ylmethanesulfonamide (PubChem CID 54972028) has the molecular formula C11H14BrFN2O2S and a molecular weight of 337.21 g/mol. Its IUPAC name is N-(5-bromo-2-fluorophenyl)-1-pyrrolidin-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-fluorophenyl)-1-pyrrolidin-2-ylmethanesulfonamide
PubChem CID54972028
Molecular FormulaC11H14BrFN2O2S
Molecular Weight337.21 g/mol
Exact Mass335.99
IUPAC NameN-(5-bromo-2-fluorophenyl)-1-pyrrolidin-2-ylmethanesulfonamide
SMILESO=S(=O)(CC1CCCN1)Nc1cc(Br)ccc1F
InChIInChI=1S/C11H14BrFN2O2S/c12-8-3-4-10(13)11(6-8)15-18(16,17)7-9-2-1-5-14-9/h3-4,6,9,14-15H,1-2,5,7H2
InChIKeyZDPSUYOXAAUPJV-UHFFFAOYSA-N
XLogP2.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluoro-5-methylphenyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 54972264
N-(2-chlorophenyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 54973701
N-(5-bromo-2-fluorophenyl)-2-chloroethanesulfonamide
CID 107650897
N-(2-hydroxyphenyl)-1-piperidin-2-ylmethanesulfonamide
CID 115071292
N-(2-chloro-4-iodophenyl)-1-piperidin-2-ylmethanesulfonamide
CID 107605719
5-bromo-2-fluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104972072
2-[2-(4-bromo-2-fluorophenyl)ethyl]pyrrolidine
CID 104703835
N-(4-bromo-3,5-dimethylphenyl)-1-piperidin-2-ylmethanesulfonamide
CID 107575648
N-methyl-1-[(2S)-pyrrolidin-2-yl]methanesulfonamide
CID 94233927
N-phenyl-1-piperidin-2-ylmethanesulfonamide
CID 54974221
N-(5-amino-2-fluorophenyl)-1-cyclohexylmethanesulfonamide
CID 61453724
N-(4-bromo-2,6-difluorophenyl)-2-piperidin-2-ylethanesulfonamide
CID 65499786

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-fluorophenyl)-1-pyrrolidin-2-ylmethanesulfonamide?
The IUPAC name of N-(5-bromo-2-fluorophenyl)-1-pyrrolidin-2-ylmethanesulfonamide (CID 54972028) is N-(5-bromo-2-fluorophenyl)-1-pyrrolidin-2-ylmethanesulfonamide.
What is the SMILES notation for N-(5-bromo-2-fluorophenyl)-1-pyrrolidin-2-ylmethanesulfonamide?
The canonical SMILES for N-(5-bromo-2-fluorophenyl)-1-pyrrolidin-2-ylmethanesulfonamide is O=S(=O)(CC1CCCN1)Nc1cc(Br)ccc1F.
What is the InChIKey of N-(5-bromo-2-fluorophenyl)-1-pyrrolidin-2-ylmethanesulfonamide?
The InChIKey is ZDPSUYOXAAUPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O2S/c12-8-3-4-10(13)11(6-8)15-18(16,17)7-9-2-1-5-14-9/h3-4,6,9,14-15H,1-2,5,7H2.
What are the key properties of N-(5-bromo-2-fluorophenyl)-1-pyrrolidin-2-ylmethanesulfonamide?
N-(5-bromo-2-fluorophenyl)-1-pyrrolidin-2-ylmethanesulfonamide has a molecular weight of 337.21 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-fluorophenyl)-1-pyrrolidin-2-ylmethanesulfonamide is sourced from PubChem (CID 54972028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).