8-amino-3,6-dichloro-9H-carbazole-1-sulfonic acid

C12H8Cl2N2O3S — CID 124928093

IUPAC8-amino-3,6-dichloro-9H-carbazole-1-sulfonic acid
SMILESNc1cc(Cl)cc2c1[nH]c1c(S(=O)(=O)O)cc(Cl)cc12
InChIInChI=1S/C12H8Cl2N2O3S/c13-5-1-7-8-2-6(14)4-10(20(17,18)19)12(8)16-11(7)9(15)3-5/h1-4,16H,15H2,(H,17,18,19)
InChIKeyWBFQZIQZONXHKB-UHFFFAOYSA-N
MW331.18 g/mol
LogP3.46
Rot. Bonds1

About 8-amino-3,6-dichloro-9H-carbazole-1-sulfonic acid

8-amino-3,6-dichloro-9H-carbazole-1-sulfonic acid (PubChem CID 124928093) has the molecular formula C12H8Cl2N2O3S and a molecular weight of 331.18 g/mol. Its IUPAC name is 8-amino-3,6-dichloro-9H-carbazole-1-sulfonic acid.

Molecular Properties

Compound Name8-amino-3,6-dichloro-9H-carbazole-1-sulfonic acid
PubChem CID124928093
Molecular FormulaC12H8Cl2N2O3S
Molecular Weight331.18 g/mol
Exact Mass329.96
IUPAC Name8-amino-3,6-dichloro-9H-carbazole-1-sulfonic acid
SMILESNc1cc(Cl)cc2c1[nH]c1c(S(=O)(=O)O)cc(Cl)cc12
InChIInChI=1S/C12H8Cl2N2O3S/c13-5-1-7-8-2-6(14)4-10(20(17,18)19)12(8)16-11(7)9(15)3-5/h1-4,16H,15H2,(H,17,18,19)
InChIKeyWBFQZIQZONXHKB-UHFFFAOYSA-N
XLogP3.46
TPSA96.18 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.18
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-amino-3,6-dichloro-9H-carbazole-1-sulfonic acid?
The IUPAC name of 8-amino-3,6-dichloro-9H-carbazole-1-sulfonic acid (CID 124928093) is 8-amino-3,6-dichloro-9H-carbazole-1-sulfonic acid.
What is the SMILES notation for 8-amino-3,6-dichloro-9H-carbazole-1-sulfonic acid?
The canonical SMILES for 8-amino-3,6-dichloro-9H-carbazole-1-sulfonic acid is Nc1cc(Cl)cc2c1[nH]c1c(S(=O)(=O)O)cc(Cl)cc12.
What is the InChIKey of 8-amino-3,6-dichloro-9H-carbazole-1-sulfonic acid?
The InChIKey is WBFQZIQZONXHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O3S/c13-5-1-7-8-2-6(14)4-10(20(17,18)19)12(8)16-11(7)9(15)3-5/h1-4,16H,15H2,(H,17,18,19).
What are the key properties of 8-amino-3,6-dichloro-9H-carbazole-1-sulfonic acid?
8-amino-3,6-dichloro-9H-carbazole-1-sulfonic acid has a molecular weight of 331.18 g/mol, XLogP of 3.46, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-3,6-dichloro-9H-carbazole-1-sulfonic acid is sourced from PubChem (CID 124928093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).