2-fluoro-N-[3-oxo-3-(4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl)propyl]benzenesulfonamide

C21H21FN2O5S — CID 90586128

IUPAC2-fluoro-N-[3-oxo-3-(4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl)propyl]benzenesulfonamide
SMILESO=C1CC2(CCN(C(=O)CCNS(=O)(=O)c3ccccc3F)C2)Oc2ccccc21
InChIInChI=1S/C21H21FN2O5S/c22-16-6-2-4-8-19(16)30(27,28)23-11-9-20(26)24-12-10-21(14-24)13-17(25)15-5-1-3-7-18(15)29-21/h1-8,23H,9-14H2
InChIKeyLNHZUONPKCHAQL-UHFFFAOYSA-N
MW432.47 g/mol
LogP2.13
Rot. Bonds5

About 2-fluoro-N-[3-oxo-3-(4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl)propyl]benzenesulfonamide

2-fluoro-N-[3-oxo-3-(4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl)propyl]benzenesulfonamide (PubChem CID 90586128) has the molecular formula C21H21FN2O5S and a molecular weight of 432.47 g/mol. Its IUPAC name is 2-fluoro-N-[3-oxo-3-(4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[3-oxo-3-(4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl)propyl]benzenesulfonamide
PubChem CID90586128
Molecular FormulaC21H21FN2O5S
Molecular Weight432.47 g/mol
Exact Mass432.12
IUPAC Name2-fluoro-N-[3-oxo-3-(4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl)propyl]benzenesulfonamide
SMILESO=C1CC2(CCN(C(=O)CCNS(=O)(=O)c3ccccc3F)C2)Oc2ccccc21
InChIInChI=1S/C21H21FN2O5S/c22-16-6-2-4-8-19(16)30(27,28)23-11-9-20(26)24-12-10-21(14-24)13-17(25)15-5-1-3-7-18(15)29-21/h1-8,23H,9-14H2
InChIKeyLNHZUONPKCHAQL-UHFFFAOYSA-N
XLogP2.13
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.47
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[3-oxo-3-(4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl)propyl]benzenesulfonamide
CID 90586133
1'-[3-[4-(trifluoromethyl)phenyl]propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586180
1'-(3-methylbutanoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585824
1'-[3-(3,4-dimethylphenyl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586185
2-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide
CID 119403723
1'-(2-cyclopentylacetyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585833
1'-[3-(3-methylthiophen-2-yl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586178
1'-[2-(2-fluorophenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260607
(2R)-1'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 99953645
N-benzyl-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide
CID 90586068
2,6-difluoro-N-[3-oxo-3-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)propyl]benzenesulfonamide
CID 90618159
1'-(4-chlorobenzoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585858

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-oxo-3-(4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl)propyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[3-oxo-3-(4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl)propyl]benzenesulfonamide (CID 90586128) is 2-fluoro-N-[3-oxo-3-(4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[3-oxo-3-(4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl)propyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[3-oxo-3-(4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl)propyl]benzenesulfonamide is O=C1CC2(CCN(C(=O)CCNS(=O)(=O)c3ccccc3F)C2)Oc2ccccc21.
What is the InChIKey of 2-fluoro-N-[3-oxo-3-(4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl)propyl]benzenesulfonamide?
The InChIKey is LNHZUONPKCHAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O5S/c22-16-6-2-4-8-19(16)30(27,28)23-11-9-20(26)24-12-10-21(14-24)13-17(25)15-5-1-3-7-18(15)29-21/h1-8,23H,9-14H2.
What are the key properties of 2-fluoro-N-[3-oxo-3-(4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl)propyl]benzenesulfonamide?
2-fluoro-N-[3-oxo-3-(4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl)propyl]benzenesulfonamide has a molecular weight of 432.47 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-oxo-3-(4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 90586128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).