6-amino-9-ethylcarbazole-3-sulfonic acid

C14H14N2O3S — CID 134108939

IUPAC6-amino-9-ethylcarbazole-3-sulfonic acid
SMILESCCn1c2ccc(N)cc2c2cc(S(=O)(=O)O)ccc21
InChIInChI=1S/C14H14N2O3S/c1-2-16-13-5-3-9(15)7-11(13)12-8-10(20(17,18)19)4-6-14(12)16/h3-8H,2,15H2,1H3,(H,17,18,19)
InChIKeyDTVFGDRIXSZRIB-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.64
Rot. Bonds2

About 6-amino-9-ethylcarbazole-3-sulfonic acid

6-amino-9-ethylcarbazole-3-sulfonic acid (PubChem CID 134108939) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 6-amino-9-ethylcarbazole-3-sulfonic acid.

Molecular Properties

Compound Name6-amino-9-ethylcarbazole-3-sulfonic acid
PubChem CID134108939
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name6-amino-9-ethylcarbazole-3-sulfonic acid
SMILESCCn1c2ccc(N)cc2c2cc(S(=O)(=O)O)ccc21
InChIInChI=1S/C14H14N2O3S/c1-2-16-13-5-3-9(15)7-11(13)12-8-10(20(17,18)19)4-6-14(12)16/h3-8H,2,15H2,1H3,(H,17,18,19)
InChIKeyDTVFGDRIXSZRIB-UHFFFAOYSA-N
XLogP2.64
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-amino-9-ethylcarbazole-3-sulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

anthracene-9,10-diamine;9-ethylcarbazole-3,6-diamine
CID 159856666
acetic acid;9-ethylcarbazol-3-amine
CID 68649355
6-amino-1-ethyl-3-methylquinazoline-2,4-dione
CID 82372186
(6-amino-9-ethylcarbazol-3-yl)-phenylmethanone
CID 118892872
8-amino-5-ethylpyridazino[4,5-b]indole-1-carboxylic acid
CID 175571301
9-amino-5-ethylphenanthridin-6-one
CID 10399308
CID 87753732
CID 87753732
9-ethylcarbazol-3-amine;naphthalen-1-amine
CID 66872678
4-aminobenzenesulfonic acid;copper
CID 174792931
1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonic acid
CID 22642050
N,1,3-triethyl-2,4-dioxoquinazoline-6-sulfonamide
CID 4093912
4-(5-amino-2-oxo-3H-benzimidazol-1-yl)benzenesulfonic acid
CID 18941520

Frequently Asked Questions

What is the IUPAC name of 6-amino-9-ethylcarbazole-3-sulfonic acid?
The IUPAC name of 6-amino-9-ethylcarbazole-3-sulfonic acid (CID 134108939) is 6-amino-9-ethylcarbazole-3-sulfonic acid.
What is the SMILES notation for 6-amino-9-ethylcarbazole-3-sulfonic acid?
The canonical SMILES for 6-amino-9-ethylcarbazole-3-sulfonic acid is CCn1c2ccc(N)cc2c2cc(S(=O)(=O)O)ccc21.
What is the InChIKey of 6-amino-9-ethylcarbazole-3-sulfonic acid?
The InChIKey is DTVFGDRIXSZRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-2-16-13-5-3-9(15)7-11(13)12-8-10(20(17,18)19)4-6-14(12)16/h3-8H,2,15H2,1H3,(H,17,18,19).
What are the key properties of 6-amino-9-ethylcarbazole-3-sulfonic acid?
6-amino-9-ethylcarbazole-3-sulfonic acid has a molecular weight of 290.34 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-9-ethylcarbazole-3-sulfonic acid is sourced from PubChem (CID 134108939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).