4-chloro-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide

C19H13ClN2O3S — CID 155535800

IUPAC4-chloro-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide
SMILESO=c1[nH]c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2c2ccccc12
InChIInChI=1S/C19H13ClN2O3S/c20-12-5-8-14(9-6-12)26(24,25)22-13-7-10-18-17(11-13)15-3-1-2-4-16(15)19(23)21-18/h1-11,22H,(H,21,23)
InChIKeyGPBOUZKGKZUBFL-UHFFFAOYSA-N
MW384.84 g/mol
LogP4.14
Rot. Bonds3

About 4-chloro-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide

4-chloro-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide (PubChem CID 155535800) has the molecular formula C19H13ClN2O3S and a molecular weight of 384.84 g/mol. Its IUPAC name is 4-chloro-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide
PubChem CID155535800
Molecular FormulaC19H13ClN2O3S
Molecular Weight384.84 g/mol
Exact Mass384.03
IUPAC Name4-chloro-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide
SMILESO=c1[nH]c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2c2ccccc12
InChIInChI=1S/C19H13ClN2O3S/c20-12-5-8-14(9-6-12)26(24,25)22-13-7-10-18-17(11-13)15-3-1-2-4-16(15)19(23)21-18/h1-11,22H,(H,21,23)
InChIKeyGPBOUZKGKZUBFL-UHFFFAOYSA-N
XLogP4.14
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.84
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide (CID 155535800) is 4-chloro-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide is O=c1[nH]c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2c2ccccc12.
What is the InChIKey of 4-chloro-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide?
The InChIKey is GPBOUZKGKZUBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O3S/c20-12-5-8-14(9-6-12)26(24,25)22-13-7-10-18-17(11-13)15-3-1-2-4-16(15)19(23)21-18/h1-11,22H,(H,21,23).
What are the key properties of 4-chloro-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide?
4-chloro-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide has a molecular weight of 384.84 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide is sourced from PubChem (CID 155535800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).