4-(2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl)sulfonylbenzonitrile

C18H15N3O3S — CID 53176982

IUPAC4-(2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl)sulfonylbenzonitrile
SMILESN#Cc1ccc(S(=O)(=O)N2CCC3(C2)C(=O)Nc2ccccc23)cc1
InChIInChI=1S/C18H15N3O3S/c19-11-13-5-7-14(8-6-13)25(23,24)21-10-9-18(12-21)15-3-1-2-4-16(15)20-17(18)22/h1-8H,9-10,12H2,(H,20,22)
InChIKeyRHKBVKMVMAQTMY-UHFFFAOYSA-N
MW353.40 g/mol
LogP1.84
Rot. Bonds2

About 4-(2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl)sulfonylbenzonitrile

4-(2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl)sulfonylbenzonitrile (PubChem CID 53176982) has the molecular formula C18H15N3O3S and a molecular weight of 353.40 g/mol. Its IUPAC name is 4-(2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl)sulfonylbenzonitrile.

Molecular Properties

Compound Name4-(2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl)sulfonylbenzonitrile
PubChem CID53176982
Molecular FormulaC18H15N3O3S
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC Name4-(2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl)sulfonylbenzonitrile
SMILESN#Cc1ccc(S(=O)(=O)N2CCC3(C2)C(=O)Nc2ccccc23)cc1
InChIInChI=1S/C18H15N3O3S/c19-11-13-5-7-14(8-6-13)25(23,24)21-10-9-18(12-21)15-3-1-2-4-16(15)20-17(18)22/h1-8H,9-10,12H2,(H,20,22)
InChIKeyRHKBVKMVMAQTMY-UHFFFAOYSA-N
XLogP1.84
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl)sulfonylbenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-5-methoxy-1'-(4-methoxyphenyl)sulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103788
1'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53176973
4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylbenzonitrile
CID 120777230
(3R)-5-methoxy-1'-(4-methylphenyl)sulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103783
(3S)-1'-(4-fluorophenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103781
4-(4-hydroxy-4-methylpiperidin-1-yl)sulfonylbenzonitrile
CID 81102847
(3R)-1'-(3,4-dimethoxyphenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103798
1'-(3,4-dimethoxyphenyl)sulfonyl-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53177075
(3R)-N,N-dimethyl-2-oxospiro[1H-indole-3,3'-piperidine]-1'-sulfonamide
CID 95707296
1'-ethylspiro[1H-indole-3,4'-piperidine]-2-one
CID 3042076
1'-(1-ethyl-5-methylpyrazol-4-yl)sulfonylspiro[1H-indole-3,4'-piperidine]-2-one
CID 56903224
2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 154879377

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl)sulfonylbenzonitrile?
The IUPAC name of 4-(2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl)sulfonylbenzonitrile (CID 53176982) is 4-(2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl)sulfonylbenzonitrile.
What is the SMILES notation for 4-(2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl)sulfonylbenzonitrile?
The canonical SMILES for 4-(2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl)sulfonylbenzonitrile is N#Cc1ccc(S(=O)(=O)N2CCC3(C2)C(=O)Nc2ccccc23)cc1.
What is the InChIKey of 4-(2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl)sulfonylbenzonitrile?
The InChIKey is RHKBVKMVMAQTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S/c19-11-13-5-7-14(8-6-13)25(23,24)21-10-9-18(12-21)15-3-1-2-4-16(15)20-17(18)22/h1-8H,9-10,12H2,(H,20,22).
What are the key properties of 4-(2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl)sulfonylbenzonitrile?
4-(2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl)sulfonylbenzonitrile has a molecular weight of 353.40 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl)sulfonylbenzonitrile is sourced from PubChem (CID 53176982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).