N-[4-(5,11-dioxo-1,2-dihydroindeno[1,2-c]isoquinolin-6-yl)butyl]benzenesulfonamide

C26H24N2O4S — CID 140627259

IUPACN-[4-(5,11-dioxo-1,2-dihydroindeno[1,2-c]isoquinolin-6-yl)butyl]benzenesulfonamide
SMILESO=C1c2ccccc2-c2c1c1c(c(=O)n2CCCCNS(=O)(=O)c2ccccc2)C=CCC1
InChIInChI=1S/C26H24N2O4S/c29-25-21-14-6-5-13-20(21)24-23(25)19-12-4-7-15-22(19)26(30)28(24)17-9-8-16-27-33(31,32)18-10-2-1-3-11-18/h1-3,5-7,10-11,13-15,27H,4,8-9,12,16-17H2
InChIKeyUOYMMSZLMGPACJ-UHFFFAOYSA-N
MW460.56 g/mol
LogP3.78
Rot. Bonds7

About N-[4-(5,11-dioxo-1,2-dihydroindeno[1,2-c]isoquinolin-6-yl)butyl]benzenesulfonamide

N-[4-(5,11-dioxo-1,2-dihydroindeno[1,2-c]isoquinolin-6-yl)butyl]benzenesulfonamide (PubChem CID 140627259) has the molecular formula C26H24N2O4S and a molecular weight of 460.56 g/mol. Its IUPAC name is N-[4-(5,11-dioxo-1,2-dihydroindeno[1,2-c]isoquinolin-6-yl)butyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(5,11-dioxo-1,2-dihydroindeno[1,2-c]isoquinolin-6-yl)butyl]benzenesulfonamide
PubChem CID140627259
Molecular FormulaC26H24N2O4S
Molecular Weight460.56 g/mol
Exact Mass460.15
IUPAC NameN-[4-(5,11-dioxo-1,2-dihydroindeno[1,2-c]isoquinolin-6-yl)butyl]benzenesulfonamide
SMILESO=C1c2ccccc2-c2c1c1c(c(=O)n2CCCCNS(=O)(=O)c2ccccc2)C=CCC1
InChIInChI=1S/C26H24N2O4S/c29-25-21-14-6-5-13-20(21)24-23(25)19-12-4-7-15-22(19)26(30)28(24)17-9-8-16-27-33(31,32)18-10-2-1-3-11-18/h1-3,5-7,10-11,13-15,27H,4,8-9,12,16-17H2
InChIKeyUOYMMSZLMGPACJ-UHFFFAOYSA-N
XLogP3.78
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_phenone_A(11)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-(5,11-dioxo-1,2-dihydroindeno[1,2-c]isoquinolin-6-yl)butyl]benzenesulfonamide with MolForge

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Related Compounds

N-(4-bromobutyl)benzenesulfonamide
CID 106846700
N-[5-(azepan-1-yl)pentyl]benzenesulfonamide
CID 110444590
N-(4-iodobutyl)benzenesulfonamide
CID 106846581
6-(3-bromopropyl)indeno[1,2-c]isoquinoline-5,11-dione;ethane
CID 91061389
N-tridecylbenzenesulfonamide
CID 3514704
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 47114338
N-[4-(phenylsulfanylamino)butyl]benzenesulfonamide
CID 163657424
N-[6-(1,3-dioxoisoindol-2-yl)hexyl]-4-methoxybenzenesulfonamide
CID 168878182
6-(benzenesulfonamido)-N-hydroxyhexanamide
CID 11601667
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzenesulfonamide
CID 35391328
2-[3-[4-(benzenesulfonamido)butyl]-2-propan-2-ylazulen-1-yl]acetic acid
CID 57317535
N-[2-[2-(benzenesulfonamido)ethylamino]ethyl]benzenesulfonamide
CID 58729757

Frequently Asked Questions

What is the IUPAC name of N-[4-(5,11-dioxo-1,2-dihydroindeno[1,2-c]isoquinolin-6-yl)butyl]benzenesulfonamide?
The IUPAC name of N-[4-(5,11-dioxo-1,2-dihydroindeno[1,2-c]isoquinolin-6-yl)butyl]benzenesulfonamide (CID 140627259) is N-[4-(5,11-dioxo-1,2-dihydroindeno[1,2-c]isoquinolin-6-yl)butyl]benzenesulfonamide.
What is the SMILES notation for N-[4-(5,11-dioxo-1,2-dihydroindeno[1,2-c]isoquinolin-6-yl)butyl]benzenesulfonamide?
The canonical SMILES for N-[4-(5,11-dioxo-1,2-dihydroindeno[1,2-c]isoquinolin-6-yl)butyl]benzenesulfonamide is O=C1c2ccccc2-c2c1c1c(c(=O)n2CCCCNS(=O)(=O)c2ccccc2)C=CCC1.
What is the InChIKey of N-[4-(5,11-dioxo-1,2-dihydroindeno[1,2-c]isoquinolin-6-yl)butyl]benzenesulfonamide?
The InChIKey is UOYMMSZLMGPACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4S/c29-25-21-14-6-5-13-20(21)24-23(25)19-12-4-7-15-22(19)26(30)28(24)17-9-8-16-27-33(31,32)18-10-2-1-3-11-18/h1-3,5-7,10-11,13-15,27H,4,8-9,12,16-17H2.
What are the key properties of N-[4-(5,11-dioxo-1,2-dihydroindeno[1,2-c]isoquinolin-6-yl)butyl]benzenesulfonamide?
N-[4-(5,11-dioxo-1,2-dihydroindeno[1,2-c]isoquinolin-6-yl)butyl]benzenesulfonamide has a molecular weight of 460.56 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5,11-dioxo-1,2-dihydroindeno[1,2-c]isoquinolin-6-yl)butyl]benzenesulfonamide is sourced from PubChem (CID 140627259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).