9H-carbazole;ethanol;methanesulfonic acid

C15H19NO4S — CID 174896622

IUPAC9H-carbazole;ethanol;methanesulfonic acid
SMILESCCO.CS(=O)(=O)O.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C12H9N.C2H6O.CH4O3S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-3;1-5(2,3)4/h1-8,13H;3H,2H2,1H3;1H3,(H,2,3,4)
InChIKeyFIQMKOWIBUKZCG-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.82
Rot. Bonds

About 9H-carbazole;ethanol;methanesulfonic acid

9H-carbazole;ethanol;methanesulfonic acid (PubChem CID 174896622) has the molecular formula C15H19NO4S and a molecular weight of 309.39 g/mol. Its IUPAC name is 9H-carbazole;ethanol;methanesulfonic acid.

Molecular Properties

Compound Name9H-carbazole;ethanol;methanesulfonic acid
PubChem CID174896622
Molecular FormulaC15H19NO4S
Molecular Weight309.39 g/mol
Exact Mass309.10
IUPAC Name9H-carbazole;ethanol;methanesulfonic acid
SMILESCCO.CS(=O)(=O)O.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C12H9N.C2H6O.CH4O3S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-3;1-5(2,3)4/h1-8,13H;3H,2H2,1H3;1H3,(H,2,3,4)
InChIKeyFIQMKOWIBUKZCG-UHFFFAOYSA-N
XLogP2.82
TPSA90.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

bis(9H-carbazole);propane
CID 90987002
9H-carbazole;propanoic acid
CID 68841226
9H-carbazole;sulfuryl dichloride
CID 158008992
9H-carbazole;propane-1,1-diol
CID 19846299
bis(9H-carbazole);ethane
CID 145072085
9H-carbazole;ethane
CID 91098062
9H-carbazole
CID 66668984
9H-carbazole;4-methylbenzenesulfonic acid
CID 173038183
9H-carbazole;carbonic acid
CID 67577328
2-methyl-1H-indole-3-sulfonic acid
CID 54301014
bromomethane;9H-carbazole
CID 67594562
9H-carbazole;copper
CID 159878189

Frequently Asked Questions

What is the IUPAC name of 9H-carbazole;ethanol;methanesulfonic acid?
The IUPAC name of 9H-carbazole;ethanol;methanesulfonic acid (CID 174896622) is 9H-carbazole;ethanol;methanesulfonic acid.
What is the SMILES notation for 9H-carbazole;ethanol;methanesulfonic acid?
The canonical SMILES for 9H-carbazole;ethanol;methanesulfonic acid is CCO.CS(=O)(=O)O.c1ccc2c(c1)[nH]c1ccccc12.
What is the InChIKey of 9H-carbazole;ethanol;methanesulfonic acid?
The InChIKey is FIQMKOWIBUKZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N.C2H6O.CH4O3S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-3;1-5(2,3)4/h1-8,13H;3H,2H2,1H3;1H3,(H,2,3,4).
What are the key properties of 9H-carbazole;ethanol;methanesulfonic acid?
9H-carbazole;ethanol;methanesulfonic acid has a molecular weight of 309.39 g/mol, XLogP of 2.82, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-carbazole;ethanol;methanesulfonic acid is sourced from PubChem (CID 174896622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).