5-benzoyl-1-[2-fluoro-4-(sulfamoylamino)phenyl]-2,3-dihydro-1H-pyrrolizine

C20H18FN3O3S — CID 23286014

IUPAC5-benzoyl-1-[2-fluoro-4-(sulfamoylamino)phenyl]-2,3-dihydro-1H-pyrrolizine
SMILESNS(=O)(=O)Nc1ccc(C2CCn3c(C(=O)c4ccccc4)ccc32)c(F)c1
InChIInChI=1S/C20H18FN3O3S/c21-17-12-14(23-28(22,26)27)6-7-15(17)16-10-11-24-18(16)8-9-19(24)20(25)13-4-2-1-3-5-13/h1-9,12,16,23H,10-11H2,(H2,22,26,27)
InChIKeyUKLKKWXKLGAZEE-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.01
Rot. Bonds5

About 5-benzoyl-1-[2-fluoro-4-(sulfamoylamino)phenyl]-2,3-dihydro-1H-pyrrolizine

5-benzoyl-1-[2-fluoro-4-(sulfamoylamino)phenyl]-2,3-dihydro-1H-pyrrolizine (PubChem CID 23286014) has the molecular formula C20H18FN3O3S and a molecular weight of 399.45 g/mol. Its IUPAC name is 5-benzoyl-1-[2-fluoro-4-(sulfamoylamino)phenyl]-2,3-dihydro-1H-pyrrolizine.

Molecular Properties

Compound Name5-benzoyl-1-[2-fluoro-4-(sulfamoylamino)phenyl]-2,3-dihydro-1H-pyrrolizine
PubChem CID23286014
Molecular FormulaC20H18FN3O3S
Molecular Weight399.45 g/mol
Exact Mass399.11
IUPAC Name5-benzoyl-1-[2-fluoro-4-(sulfamoylamino)phenyl]-2,3-dihydro-1H-pyrrolizine
SMILESNS(=O)(=O)Nc1ccc(C2CCn3c(C(=O)c4ccccc4)ccc32)c(F)c1
InChIInChI=1S/C20H18FN3O3S/c21-17-12-14(23-28(22,26)27)6-7-15(17)16-10-11-24-18(16)8-9-19(24)20(25)13-4-2-1-3-5-13/h1-9,12,16,23H,10-11H2,(H2,22,26,27)
InChIKeyUKLKKWXKLGAZEE-UHFFFAOYSA-N
XLogP3.01
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzoyl-1-[2-fluoro-4-(sulfamoylamino)phenyl]-2,3-dihydro-1H-pyrrolizine?
The IUPAC name of 5-benzoyl-1-[2-fluoro-4-(sulfamoylamino)phenyl]-2,3-dihydro-1H-pyrrolizine (CID 23286014) is 5-benzoyl-1-[2-fluoro-4-(sulfamoylamino)phenyl]-2,3-dihydro-1H-pyrrolizine.
What is the SMILES notation for 5-benzoyl-1-[2-fluoro-4-(sulfamoylamino)phenyl]-2,3-dihydro-1H-pyrrolizine?
The canonical SMILES for 5-benzoyl-1-[2-fluoro-4-(sulfamoylamino)phenyl]-2,3-dihydro-1H-pyrrolizine is NS(=O)(=O)Nc1ccc(C2CCn3c(C(=O)c4ccccc4)ccc32)c(F)c1.
What is the InChIKey of 5-benzoyl-1-[2-fluoro-4-(sulfamoylamino)phenyl]-2,3-dihydro-1H-pyrrolizine?
The InChIKey is UKLKKWXKLGAZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3S/c21-17-12-14(23-28(22,26)27)6-7-15(17)16-10-11-24-18(16)8-9-19(24)20(25)13-4-2-1-3-5-13/h1-9,12,16,23H,10-11H2,(H2,22,26,27).
What are the key properties of 5-benzoyl-1-[2-fluoro-4-(sulfamoylamino)phenyl]-2,3-dihydro-1H-pyrrolizine?
5-benzoyl-1-[2-fluoro-4-(sulfamoylamino)phenyl]-2,3-dihydro-1H-pyrrolizine has a molecular weight of 399.45 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzoyl-1-[2-fluoro-4-(sulfamoylamino)phenyl]-2,3-dihydro-1H-pyrrolizine is sourced from PubChem (CID 23286014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).