N-(2-methoxy-4-methylsulfonylphenyl)acridin-9-amine

C21H18N2O3S — CID 155563816

IUPACN-(2-methoxy-4-methylsulfonylphenyl)acridin-9-amine
SMILESCOc1cc(S(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12
InChIInChI=1S/C21H18N2O3S/c1-26-20-13-14(27(2,24)25)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21/h3-13H,1-2H3,(H,22,23)
InChIKeyNHUIFDIHYWSPOK-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.54
Rot. Bonds4

About N-(2-methoxy-4-methylsulfonylphenyl)acridin-9-amine

N-(2-methoxy-4-methylsulfonylphenyl)acridin-9-amine (PubChem CID 155563816) has the molecular formula C21H18N2O3S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-(2-methoxy-4-methylsulfonylphenyl)acridin-9-amine.

Molecular Properties

Compound NameN-(2-methoxy-4-methylsulfonylphenyl)acridin-9-amine
PubChem CID155563816
Molecular FormulaC21H18N2O3S
Molecular Weight378.45 g/mol
Exact Mass378.10
IUPAC NameN-(2-methoxy-4-methylsulfonylphenyl)acridin-9-amine
SMILESCOc1cc(S(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12
InChIInChI=1S/C21H18N2O3S/c1-26-20-13-14(27(2,24)25)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21/h3-13H,1-2H3,(H,22,23)
InChIKeyNHUIFDIHYWSPOK-UHFFFAOYSA-N
XLogP4.54
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-methylsulfonylphenyl)acridin-9-amine?
The IUPAC name of N-(2-methoxy-4-methylsulfonylphenyl)acridin-9-amine (CID 155563816) is N-(2-methoxy-4-methylsulfonylphenyl)acridin-9-amine.
What is the SMILES notation for N-(2-methoxy-4-methylsulfonylphenyl)acridin-9-amine?
The canonical SMILES for N-(2-methoxy-4-methylsulfonylphenyl)acridin-9-amine is COc1cc(S(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12.
What is the InChIKey of N-(2-methoxy-4-methylsulfonylphenyl)acridin-9-amine?
The InChIKey is NHUIFDIHYWSPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3S/c1-26-20-13-14(27(2,24)25)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21/h3-13H,1-2H3,(H,22,23).
What are the key properties of N-(2-methoxy-4-methylsulfonylphenyl)acridin-9-amine?
N-(2-methoxy-4-methylsulfonylphenyl)acridin-9-amine has a molecular weight of 378.45 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-methylsulfonylphenyl)acridin-9-amine is sourced from PubChem (CID 155563816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).