acridin-9-yl-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone

C24H20N2O4S — CID 90593374

IUPACacridin-9-yl-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone
SMILESCOc1ccc(S(=O)(=O)C2CN(C(=O)c3c4ccccc4nc4ccccc34)C2)cc1
InChIInChI=1S/C24H20N2O4S/c1-30-16-10-12-17(13-11-16)31(28,29)18-14-26(15-18)24(27)23-19-6-2-4-8-21(19)25-22-9-5-3-7-20(22)23/h2-13,18H,14-15H2,1H3
InChIKeyASQOLUUJHFMNMH-UHFFFAOYSA-N
MW432.50 g/mol
LogP3.69
Rot. Bonds4

About acridin-9-yl-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone

acridin-9-yl-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone (PubChem CID 90593374) has the molecular formula C24H20N2O4S and a molecular weight of 432.50 g/mol. Its IUPAC name is acridin-9-yl-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone.

Molecular Properties

Compound Nameacridin-9-yl-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone
PubChem CID90593374
Molecular FormulaC24H20N2O4S
Molecular Weight432.50 g/mol
Exact Mass432.11
IUPAC Nameacridin-9-yl-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone
SMILESCOc1ccc(S(=O)(=O)C2CN(C(=O)c3c4ccccc4nc4ccccc34)C2)cc1
InChIInChI=1S/C24H20N2O4S/c1-30-16-10-12-17(13-11-16)31(28,29)18-14-26(15-18)24(27)23-19-6-2-4-8-21(19)25-22-9-5-3-7-20(22)23/h2-13,18H,14-15H2,1H3
InChIKeyASQOLUUJHFMNMH-UHFFFAOYSA-N
XLogP3.69
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

(2-bromo-5-methoxyphenyl)-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone
CID 90593364
1-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]-2,2-dimethylpropan-1-one
CID 90593284
(3-methoxy-2-methylindazol-6-yl)-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone
CID 90593436
2-(1,2-benzoxazol-3-yl)-1-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]ethanone
CID 90593513
3-[3-(4-methoxyphenyl)sulfonylazetidine-1-carbonyl]benzonitrile
CID 90593298
[4-(3-methoxyphenyl)phenyl]-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone
CID 72718885
[(3S)-3-(benzenesulfonyl)pyrrolidin-1-yl]-(2-bromo-5-methoxyphenyl)methanone
CID 97354905
[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone
CID 90593569
3-(benzenesulfonyl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 90585047
[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 90593367
2-[3-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 90593499
3-(4-methoxyphenyl)sulfonyl-1-methylsulfonylazetidine
CID 72718913

Frequently Asked Questions

What is the IUPAC name of acridin-9-yl-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone?
The IUPAC name of acridin-9-yl-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone (CID 90593374) is acridin-9-yl-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone.
What is the SMILES notation for acridin-9-yl-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone?
The canonical SMILES for acridin-9-yl-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone is COc1ccc(S(=O)(=O)C2CN(C(=O)c3c4ccccc4nc4ccccc34)C2)cc1.
What is the InChIKey of acridin-9-yl-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone?
The InChIKey is ASQOLUUJHFMNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4S/c1-30-16-10-12-17(13-11-16)31(28,29)18-14-26(15-18)24(27)23-19-6-2-4-8-21(19)25-22-9-5-3-7-20(22)23/h2-13,18H,14-15H2,1H3.
What are the key properties of acridin-9-yl-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone?
acridin-9-yl-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone has a molecular weight of 432.50 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acridin-9-yl-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone is sourced from PubChem (CID 90593374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).