3-chloro-N,N-diethyl-5,8-dimethyl-9-oxo-10H-acridine-2-sulfonamide

C19H21ClN2O3S — CID 4873055

IUPAC3-chloro-N,N-diethyl-5,8-dimethyl-9-oxo-10H-acridine-2-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc2c(=O)c3c(C)ccc(C)c3[nH]c2cc1Cl
InChIInChI=1S/C19H21ClN2O3S/c1-5-22(6-2)26(24,25)16-9-13-15(10-14(16)20)21-18-12(4)8-7-11(3)17(18)19(13)23/h7-10H,5-6H2,1-4H3,(H,21,23)
InChIKeyYWGLRSXEERUOSC-UHFFFAOYSA-N
MW392.91 g/mol
LogP3.98
Rot. Bonds4

About 3-chloro-N,N-diethyl-5,8-dimethyl-9-oxo-10H-acridine-2-sulfonamide

3-chloro-N,N-diethyl-5,8-dimethyl-9-oxo-10H-acridine-2-sulfonamide (PubChem CID 4873055) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is 3-chloro-N,N-diethyl-5,8-dimethyl-9-oxo-10H-acridine-2-sulfonamide.

Molecular Properties

Compound Name3-chloro-N,N-diethyl-5,8-dimethyl-9-oxo-10H-acridine-2-sulfonamide
PubChem CID4873055
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC Name3-chloro-N,N-diethyl-5,8-dimethyl-9-oxo-10H-acridine-2-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc2c(=O)c3c(C)ccc(C)c3[nH]c2cc1Cl
InChIInChI=1S/C19H21ClN2O3S/c1-5-22(6-2)26(24,25)16-9-13-15(10-14(16)20)21-18-12(4)8-7-11(3)17(18)19(13)23/h7-10H,5-6H2,1-4H3,(H,21,23)
InChIKeyYWGLRSXEERUOSC-UHFFFAOYSA-N
XLogP3.98
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-chloro-N,N-diethyl-5,8-dimethyl-9-oxo-10H-acridine-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,N-diethyl-5,8-dimethyl-9-oxo-10H-acridine-2-sulfonamide?
The IUPAC name of 3-chloro-N,N-diethyl-5,8-dimethyl-9-oxo-10H-acridine-2-sulfonamide (CID 4873055) is 3-chloro-N,N-diethyl-5,8-dimethyl-9-oxo-10H-acridine-2-sulfonamide.
What is the SMILES notation for 3-chloro-N,N-diethyl-5,8-dimethyl-9-oxo-10H-acridine-2-sulfonamide?
The canonical SMILES for 3-chloro-N,N-diethyl-5,8-dimethyl-9-oxo-10H-acridine-2-sulfonamide is CCN(CC)S(=O)(=O)c1cc2c(=O)c3c(C)ccc(C)c3[nH]c2cc1Cl.
What is the InChIKey of 3-chloro-N,N-diethyl-5,8-dimethyl-9-oxo-10H-acridine-2-sulfonamide?
The InChIKey is YWGLRSXEERUOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-5-22(6-2)26(24,25)16-9-13-15(10-14(16)20)21-18-12(4)8-7-11(3)17(18)19(13)23/h7-10H,5-6H2,1-4H3,(H,21,23).
What are the key properties of 3-chloro-N,N-diethyl-5,8-dimethyl-9-oxo-10H-acridine-2-sulfonamide?
3-chloro-N,N-diethyl-5,8-dimethyl-9-oxo-10H-acridine-2-sulfonamide has a molecular weight of 392.91 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,N-diethyl-5,8-dimethyl-9-oxo-10H-acridine-2-sulfonamide is sourced from PubChem (CID 4873055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).