9H-carbazole-3,4-disulfonic acid

C12H9NO6S2 — CID 87743227

IUPAC9H-carbazole-3,4-disulfonic acid
SMILESO=S(=O)(O)c1ccc2[nH]c3ccccc3c2c1S(=O)(=O)O
InChIInChI=1S/C12H9NO6S2/c14-20(15,16)10-6-5-9-11(12(10)21(17,18)19)7-3-1-2-4-8(7)13-9/h1-6,13H,(H,14,15,16)(H,17,18,19)
InChIKeyBMDXPWCIQDEOOT-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.81
Rot. Bonds2

About 9H-carbazole-3,4-disulfonic acid

9H-carbazole-3,4-disulfonic acid (PubChem CID 87743227) has the molecular formula C12H9NO6S2 and a molecular weight of 327.34 g/mol. Its IUPAC name is 9H-carbazole-3,4-disulfonic acid.

Molecular Properties

Compound Name9H-carbazole-3,4-disulfonic acid
PubChem CID87743227
Molecular FormulaC12H9NO6S2
Molecular Weight327.34 g/mol
Exact Mass326.99
IUPAC Name9H-carbazole-3,4-disulfonic acid
SMILESO=S(=O)(O)c1ccc2[nH]c3ccccc3c2c1S(=O)(=O)O
InChIInChI=1S/C12H9NO6S2/c14-20(15,16)10-6-5-9-11(12(10)21(17,18)19)7-3-1-2-4-8(7)13-9/h1-6,13H,(H,14,15,16)(H,17,18,19)
InChIKeyBMDXPWCIQDEOOT-UHFFFAOYSA-N
XLogP1.81
TPSA124.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9H-carbazole-3,4-disulfonic acid?
The IUPAC name of 9H-carbazole-3,4-disulfonic acid (CID 87743227) is 9H-carbazole-3,4-disulfonic acid.
What is the SMILES notation for 9H-carbazole-3,4-disulfonic acid?
The canonical SMILES for 9H-carbazole-3,4-disulfonic acid is O=S(=O)(O)c1ccc2[nH]c3ccccc3c2c1S(=O)(=O)O.
What is the InChIKey of 9H-carbazole-3,4-disulfonic acid?
The InChIKey is BMDXPWCIQDEOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO6S2/c14-20(15,16)10-6-5-9-11(12(10)21(17,18)19)7-3-1-2-4-8(7)13-9/h1-6,13H,(H,14,15,16)(H,17,18,19).
What are the key properties of 9H-carbazole-3,4-disulfonic acid?
9H-carbazole-3,4-disulfonic acid has a molecular weight of 327.34 g/mol, XLogP of 1.81, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-carbazole-3,4-disulfonic acid is sourced from PubChem (CID 87743227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).