2-hydroxy-9H-carbazole-1-sulfonic acid

C12H9NO4S — CID 139685284

IUPAC2-hydroxy-9H-carbazole-1-sulfonic acid
SMILESO=S(=O)(O)c1c(O)ccc2c1[nH]c1ccccc12
InChIInChI=1S/C12H9NO4S/c14-10-6-5-8-7-3-1-2-4-9(7)13-11(8)12(10)18(15,16)17/h1-6,13-14H,(H,15,16,17)
InChIKeyLMEAEBHPOSIFRB-UHFFFAOYSA-N
MW263.27 g/mol
LogP2.27
Rot. Bonds1

About 2-hydroxy-9H-carbazole-1-sulfonic acid

2-hydroxy-9H-carbazole-1-sulfonic acid (PubChem CID 139685284) has the molecular formula C12H9NO4S and a molecular weight of 263.27 g/mol. Its IUPAC name is 2-hydroxy-9H-carbazole-1-sulfonic acid.

Molecular Properties

Compound Name2-hydroxy-9H-carbazole-1-sulfonic acid
PubChem CID139685284
Molecular FormulaC12H9NO4S
Molecular Weight263.27 g/mol
Exact Mass263.03
IUPAC Name2-hydroxy-9H-carbazole-1-sulfonic acid
SMILESO=S(=O)(O)c1c(O)ccc2c1[nH]c1ccccc12
InChIInChI=1S/C12H9NO4S/c14-10-6-5-8-7-3-1-2-4-9(7)13-11(8)12(10)18(15,16)17/h1-6,13-14H,(H,15,16,17)
InChIKeyLMEAEBHPOSIFRB-UHFFFAOYSA-N
XLogP2.27
TPSA90.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.27
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

2-methyl-1H-indole-3-sulfonic acid
CID 54301014
9H-carbazole-1-sulfonamide
CID 18617392
3,6-dihydroxybenzene-1,2-disulfonic acid
CID 14848534
2-hydroxy-11H-benzo[a]carbazole-1-carboxamide
CID 66614517
9H-carbazole-3,4-disulfonic acid
CID 87743227
2-phenyl-9H-carbazol-1-ol
CID 118682381
9H-carbazole;sulfuryl dichloride
CID 158008992
ethane;2-hydroxy-11H-benzo[a]carbazole-3-carboxylic acid
CID 91394685
9H-carbazole;ethanol;methanesulfonic acid
CID 174896622
carbanide;ethane;2-methyl-9H-carbazol-1-ol;yttrium
CID 161379939
9H-carbazole;4-methylbenzenesulfonic acid
CID 173038183
3-amino-11H-benzo[a]carbazol-2-ol
CID 135394460

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-9H-carbazole-1-sulfonic acid?
The IUPAC name of 2-hydroxy-9H-carbazole-1-sulfonic acid (CID 139685284) is 2-hydroxy-9H-carbazole-1-sulfonic acid.
What is the SMILES notation for 2-hydroxy-9H-carbazole-1-sulfonic acid?
The canonical SMILES for 2-hydroxy-9H-carbazole-1-sulfonic acid is O=S(=O)(O)c1c(O)ccc2c1[nH]c1ccccc12.
What is the InChIKey of 2-hydroxy-9H-carbazole-1-sulfonic acid?
The InChIKey is LMEAEBHPOSIFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO4S/c14-10-6-5-8-7-3-1-2-4-9(7)13-11(8)12(10)18(15,16)17/h1-6,13-14H,(H,15,16,17).
What are the key properties of 2-hydroxy-9H-carbazole-1-sulfonic acid?
2-hydroxy-9H-carbazole-1-sulfonic acid has a molecular weight of 263.27 g/mol, XLogP of 2.27, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-9H-carbazole-1-sulfonic acid is sourced from PubChem (CID 139685284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).