benzo[a]acridine-1-sulfonamide

C17H12N2O2S — CID 87964797

IUPACbenzo[a]acridine-1-sulfonamide
SMILESNS(=O)(=O)c1cccc2ccc3nc4ccccc4cc3c12
InChIInChI=1S/C17H12N2O2S/c18-22(20,21)16-7-3-5-11-8-9-15-13(17(11)16)10-12-4-1-2-6-14(12)19-15/h1-10H,(H2,18,20,21)
InChIKeyAKNMQRWZODNSEG-UHFFFAOYSA-N
MW308.36 g/mol
LogP3.19
Rot. Bonds1

About benzo[a]acridine-1-sulfonamide

benzo[a]acridine-1-sulfonamide (PubChem CID 87964797) has the molecular formula C17H12N2O2S and a molecular weight of 308.36 g/mol. Its IUPAC name is benzo[a]acridine-1-sulfonamide.

Molecular Properties

Compound Namebenzo[a]acridine-1-sulfonamide
PubChem CID87964797
Molecular FormulaC17H12N2O2S
Molecular Weight308.36 g/mol
Exact Mass308.06
IUPAC Namebenzo[a]acridine-1-sulfonamide
SMILESNS(=O)(=O)c1cccc2ccc3nc4ccccc4cc3c12
InChIInChI=1S/C17H12N2O2S/c18-22(20,21)16-7-3-5-11-8-9-15-13(17(11)16)10-12-4-1-2-6-14(12)19-15/h1-10H,(H2,18,20,21)
InChIKeyAKNMQRWZODNSEG-UHFFFAOYSA-N
XLogP3.19
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzo[a]acridine-1-sulfonamide?
The IUPAC name of benzo[a]acridine-1-sulfonamide (CID 87964797) is benzo[a]acridine-1-sulfonamide.
What is the SMILES notation for benzo[a]acridine-1-sulfonamide?
The canonical SMILES for benzo[a]acridine-1-sulfonamide is NS(=O)(=O)c1cccc2ccc3nc4ccccc4cc3c12.
What is the InChIKey of benzo[a]acridine-1-sulfonamide?
The InChIKey is AKNMQRWZODNSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2S/c18-22(20,21)16-7-3-5-11-8-9-15-13(17(11)16)10-12-4-1-2-6-14(12)19-15/h1-10H,(H2,18,20,21).
What are the key properties of benzo[a]acridine-1-sulfonamide?
benzo[a]acridine-1-sulfonamide has a molecular weight of 308.36 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[a]acridine-1-sulfonamide is sourced from PubChem (CID 87964797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).