6-sulfonyl-5H-phenanthridine

C13H9NO2S — CID 154511951

IUPAC6-sulfonyl-5H-phenanthridine
SMILESO=S(=O)=c1[nH]c2ccccc2c2ccccc12
InChIInChI=1S/C13H9NO2S/c15-17(16)13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)14-13/h1-8,14H
InChIKeyQTJRLCSWQFIWAF-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.73
Rot. Bonds

About 6-sulfonyl-5H-phenanthridine

6-sulfonyl-5H-phenanthridine (PubChem CID 154511951) has the molecular formula C13H9NO2S and a molecular weight of 243.29 g/mol. Its IUPAC name is 6-sulfonyl-5H-phenanthridine.

Molecular Properties

Compound Name6-sulfonyl-5H-phenanthridine
PubChem CID154511951
Molecular FormulaC13H9NO2S
Molecular Weight243.29 g/mol
Exact Mass243.04
IUPAC Name6-sulfonyl-5H-phenanthridine
SMILESO=S(=O)=c1[nH]c2ccccc2c2ccccc12
InChIInChI=1S/C13H9NO2S/c15-17(16)13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)14-13/h1-8,14H
InChIKeyQTJRLCSWQFIWAF-UHFFFAOYSA-N
XLogP2.73
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9H-carbazole
CID 66668984
9H-carbazole;copper
CID 159878189
bis(9H-carbazole);platinum(2+)
CID 175826437
bis(9H-carbazole);ethane
CID 145072085
9H-carbazole;ethane
CID 91098062
9H-carbazole;carbonic acid
CID 67577328
bromomethane;9H-carbazole
CID 67594562
2-sulfonyl-1H-quinolin-4-ol
CID 54106593
9H-carbazole;sulfuryl dichloride
CID 158008992
bis(9H-carbazole);propane
CID 90987002
7,17,24,34-tetrazanonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1(20),2,4(16),5,8,10,12,14,18,21(33),22,25,27,29,31-pentadecaene
CID 58471811
2-sulfonyl-1,3-dihydrobenzimidazole
CID 10419816

Frequently Asked Questions

What is the IUPAC name of 6-sulfonyl-5H-phenanthridine?
The IUPAC name of 6-sulfonyl-5H-phenanthridine (CID 154511951) is 6-sulfonyl-5H-phenanthridine.
What is the SMILES notation for 6-sulfonyl-5H-phenanthridine?
The canonical SMILES for 6-sulfonyl-5H-phenanthridine is O=S(=O)=c1[nH]c2ccccc2c2ccccc12.
What is the InChIKey of 6-sulfonyl-5H-phenanthridine?
The InChIKey is QTJRLCSWQFIWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2S/c15-17(16)13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)14-13/h1-8,14H.
What are the key properties of 6-sulfonyl-5H-phenanthridine?
6-sulfonyl-5H-phenanthridine has a molecular weight of 243.29 g/mol, XLogP of 2.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-sulfonyl-5H-phenanthridine is sourced from PubChem (CID 154511951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).