1-(4-methylphenyl)sulfonylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-pyrrolidine]-2'-one

C20H22N2O3S — CID 24963901

IUPAC1-(4-methylphenyl)sulfonylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-pyrrolidine]-2'-one
SMILESCc1ccc(S(=O)(=O)N2CCC3(CCNC3=O)Cc3ccccc32)cc1
InChIInChI=1S/C20H22N2O3S/c1-15-6-8-17(9-7-15)26(24,25)22-13-11-20(10-12-21-19(20)23)14-16-4-2-3-5-18(16)22/h2-9H,10-14H2,1H3,(H,21,23)
InChIKeyWCLABHGXKZAURV-UHFFFAOYSA-N
MW370.47 g/mol
LogP2.64
Rot. Bonds2

About 1-(4-methylphenyl)sulfonylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-pyrrolidine]-2'-one

1-(4-methylphenyl)sulfonylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-pyrrolidine]-2'-one (PubChem CID 24963901) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-pyrrolidine]-2'-one.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-pyrrolidine]-2'-one
PubChem CID24963901
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name1-(4-methylphenyl)sulfonylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-pyrrolidine]-2'-one
SMILESCc1ccc(S(=O)(=O)N2CCC3(CCNC3=O)Cc3ccccc32)cc1
InChIInChI=1S/C20H22N2O3S/c1-15-6-8-17(9-7-15)26(24,25)22-13-11-20(10-12-21-19(20)23)14-16-4-2-3-5-18(16)22/h2-9H,10-14H2,1H3,(H,21,23)
InChIKeyWCLABHGXKZAURV-UHFFFAOYSA-N
XLogP2.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-butyl-1-(4-methylphenyl)sulfonyl-3,5-dihydro-2H-1-benzazepine-4-carbaldehyde
CID 89013137
1-(4-methylphenyl)sulfonyl-4-(4-oxobutyl)-3,5-dihydro-2H-1-benzazepine-4-carbaldehyde
CID 89013987
magnesium;hydride;methanol;bis(2'-methyl-1-(4-methylphenyl)sulfonylspiro[3,5-dihydro-2H-1-benzazepine-4,1'-cyclopentane]);2'-methylspiro[1,2,3,5-tetrahydro-1-benzazepine-4,1'-cyclopentane]
CID 161137998
ethyl 4-fluoro-1-(4-methylphenyl)sulfonyl-3,5-dihydro-2H-1-benzazepine-4-carboxylate
CID 118432206
4,4-dimethyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinoline
CID 91938897
1-phosphanylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-piperidine]-2'-one
CID 59550564
1-(4-pyridin-4-ylphenyl)sulfonyl-2,3-dihydroindole
CID 110454424
2-(4-methylphenyl)sulfonyl-3,4-dihydroisoquinolin-1-one
CID 11472135
4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylaniline
CID 43332089
(1aR)-4-(4-methylphenyl)sulfonyl-1a,2,3,8b-tetrahydrooxireno[2,3-d][1]benzazepine
CID 89273802
(3Z)-1,6-bis-(4-methylphenyl)sulfonyl-5,7-dihydro-2H-1,6-benzodiazonine
CID 132608825
ethane;1'-(4-methylphenyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one
CID 145015123

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-pyrrolidine]-2'-one?
The IUPAC name of 1-(4-methylphenyl)sulfonylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-pyrrolidine]-2'-one (CID 24963901) is 1-(4-methylphenyl)sulfonylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-pyrrolidine]-2'-one.
What is the SMILES notation for 1-(4-methylphenyl)sulfonylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-pyrrolidine]-2'-one?
The canonical SMILES for 1-(4-methylphenyl)sulfonylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-pyrrolidine]-2'-one is Cc1ccc(S(=O)(=O)N2CCC3(CCNC3=O)Cc3ccccc32)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-pyrrolidine]-2'-one?
The InChIKey is WCLABHGXKZAURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-15-6-8-17(9-7-15)26(24,25)22-13-11-20(10-12-21-19(20)23)14-16-4-2-3-5-18(16)22/h2-9H,10-14H2,1H3,(H,21,23).
What are the key properties of 1-(4-methylphenyl)sulfonylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-pyrrolidine]-2'-one?
1-(4-methylphenyl)sulfonylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-pyrrolidine]-2'-one has a molecular weight of 370.47 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-pyrrolidine]-2'-one is sourced from PubChem (CID 24963901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).