9-(benzenesulfonyl)-6-chloro-2-methoxyacridine

C20H14ClNO3S — CID 11417730

IUPAC9-(benzenesulfonyl)-6-chloro-2-methoxyacridine
SMILESCOc1ccc2nc3cc(Cl)ccc3c(S(=O)(=O)c3ccccc3)c2c1
InChIInChI=1S/C20H14ClNO3S/c1-25-14-8-10-18-17(12-14)20(16-9-7-13(21)11-19(16)22-18)26(23,24)15-5-3-2-4-6-15/h2-12H,1H3
InChIKeyVNNMWWGRQOPIRB-UHFFFAOYSA-N
MW383.86 g/mol
LogP4.88
Rot. Bonds3

About 9-(benzenesulfonyl)-6-chloro-2-methoxyacridine

9-(benzenesulfonyl)-6-chloro-2-methoxyacridine (PubChem CID 11417730) has the molecular formula C20H14ClNO3S and a molecular weight of 383.86 g/mol. Its IUPAC name is 9-(benzenesulfonyl)-6-chloro-2-methoxyacridine.

Molecular Properties

Compound Name9-(benzenesulfonyl)-6-chloro-2-methoxyacridine
PubChem CID11417730
Molecular FormulaC20H14ClNO3S
Molecular Weight383.86 g/mol
Exact Mass383.04
IUPAC Name9-(benzenesulfonyl)-6-chloro-2-methoxyacridine
SMILESCOc1ccc2nc3cc(Cl)ccc3c(S(=O)(=O)c3ccccc3)c2c1
InChIInChI=1S/C20H14ClNO3S/c1-25-14-8-10-18-17(12-14)20(16-9-7-13(21)11-19(16)22-18)26(23,24)15-5-3-2-4-6-15/h2-12H,1H3
InChIKeyVNNMWWGRQOPIRB-UHFFFAOYSA-N
XLogP4.88
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.86
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-methoxy-N,N-dimethylacridin-9-amine
CID 71406674
[6-chloro-4-(4-methoxyphenyl)sulfonylquinolin-3-yl]-phenylmethanone
CID 2137534
N,N'-bis(6-chloro-2-methoxyacridin-9-yl)nonane-1,9-diamine
CID 158996243
6-chloro-2-methoxy-9-(3-phenylpropyl)acridine
CID 141333744
1-[4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenyl]-3-phenylurea
CID 127037354
6-chloro-2-methoxy-9-(1H-pyrrol-2-yl)acridine
CID 162418858
2-N-[4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenyl]-6-hydrazinyl-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 46186895
6-chloro-9-[1-(6-chloro-2-methoxyacridin-9-yl)acridin-2-yl]-2-methoxyacridine
CID 172780494
1-N,2-N-bis(6-chloro-2-methoxyacridin-9-yl)cyclohexane-1,2-diamine
CID 10393752
4-[(6-chloro-2-methoxyacridin-9-yl)amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 5270854
4-N-(6-chloro-2-methoxyacridin-9-yl)benzene-1,4-diamine
CID 56666124
N-butyl-6-chloro-2-methoxyacridin-9-amine;ethane
CID 166169543

Frequently Asked Questions

What is the IUPAC name of 9-(benzenesulfonyl)-6-chloro-2-methoxyacridine?
The IUPAC name of 9-(benzenesulfonyl)-6-chloro-2-methoxyacridine (CID 11417730) is 9-(benzenesulfonyl)-6-chloro-2-methoxyacridine.
What is the SMILES notation for 9-(benzenesulfonyl)-6-chloro-2-methoxyacridine?
The canonical SMILES for 9-(benzenesulfonyl)-6-chloro-2-methoxyacridine is COc1ccc2nc3cc(Cl)ccc3c(S(=O)(=O)c3ccccc3)c2c1.
What is the InChIKey of 9-(benzenesulfonyl)-6-chloro-2-methoxyacridine?
The InChIKey is VNNMWWGRQOPIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClNO3S/c1-25-14-8-10-18-17(12-14)20(16-9-7-13(21)11-19(16)22-18)26(23,24)15-5-3-2-4-6-15/h2-12H,1H3.
What are the key properties of 9-(benzenesulfonyl)-6-chloro-2-methoxyacridine?
9-(benzenesulfonyl)-6-chloro-2-methoxyacridine has a molecular weight of 383.86 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(benzenesulfonyl)-6-chloro-2-methoxyacridine is sourced from PubChem (CID 11417730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).