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

C21H21ClN2O5S — CID 90586133

IUPAC3-chloro-N-[3-oxo-3-(4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl)propyl]benzenesulfonamide
SMILESO=C1CC2(CCN(C(=O)CCNS(=O)(=O)c3cccc(Cl)c3)C2)Oc2ccccc21
InChIInChI=1S/C21H21ClN2O5S/c22-15-4-3-5-16(12-15)30(27,28)23-10-8-20(26)24-11-9-21(14-24)13-18(25)17-6-1-2-7-19(17)29-21/h1-7,12,23H,8-11,13-14H2
InChIKeyRMADWXDEMYYBNS-UHFFFAOYSA-N
MW448.93 g/mol
LogP2.64
Rot. Bonds5

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

3-chloro-N-[3-oxo-3-(4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl)propyl]benzenesulfonamide (PubChem CID 90586133) has the molecular formula C21H21ClN2O5S and a molecular weight of 448.93 g/mol. Its IUPAC name is 3-chloro-N-[3-oxo-3-(4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[3-oxo-3-(4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl)propyl]benzenesulfonamide
PubChem CID90586133
Molecular FormulaC21H21ClN2O5S
Molecular Weight448.93 g/mol
Exact Mass448.09
IUPAC Name3-chloro-N-[3-oxo-3-(4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl)propyl]benzenesulfonamide
SMILESO=C1CC2(CCN(C(=O)CCNS(=O)(=O)c3cccc(Cl)c3)C2)Oc2ccccc21
InChIInChI=1S/C21H21ClN2O5S/c22-15-4-3-5-16(12-15)30(27,28)23-10-8-20(26)24-11-9-21(14-24)13-18(25)17-6-1-2-7-19(17)29-21/h1-7,12,23H,8-11,13-14H2
InChIKeyRMADWXDEMYYBNS-UHFFFAOYSA-N
XLogP2.64
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.93
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-[3-oxo-3-(4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl)propyl]benzenesulfonamide
CID 90586128
1'-[2-(2,4-dichlorophenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585951
1'-[3-(3,4-dimethylphenyl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586185
1'-(3-methylbutanoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585824
1'-(4-chlorobenzoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585858
1'-(2-cyclopentylacetyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585833
1'-[3-[4-(trifluoromethyl)phenyl]propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586180
N-(2-chlorophenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide
CID 90586080
1'-[3-(3-methylthiophen-2-yl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586178
3-chloro-N-[2-oxo-2-(3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-yl)ethyl]benzenesulfonamide
CID 90618532
1'-[4-(4-chlorophenoxy)butanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108757646
(2R)-1'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 99953645

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-oxo-3-(4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl)propyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[3-oxo-3-(4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl)propyl]benzenesulfonamide (CID 90586133) is 3-chloro-N-[3-oxo-3-(4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[3-oxo-3-(4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl)propyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[3-oxo-3-(4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl)propyl]benzenesulfonamide is O=C1CC2(CCN(C(=O)CCNS(=O)(=O)c3cccc(Cl)c3)C2)Oc2ccccc21.
What is the InChIKey of 3-chloro-N-[3-oxo-3-(4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl)propyl]benzenesulfonamide?
The InChIKey is RMADWXDEMYYBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O5S/c22-15-4-3-5-16(12-15)30(27,28)23-10-8-20(26)24-11-9-21(14-24)13-18(25)17-6-1-2-7-19(17)29-21/h1-7,12,23H,8-11,13-14H2.
What are the key properties of 3-chloro-N-[3-oxo-3-(4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl)propyl]benzenesulfonamide?
3-chloro-N-[3-oxo-3-(4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl)propyl]benzenesulfonamide has a molecular weight of 448.93 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-oxo-3-(4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 90586133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).