4-carbazol-9-ylsulfonylaniline;hydrochloride

C18H15ClN2O2S — CID 71450930

IUPAC4-carbazol-9-ylsulfonylaniline;hydrochloride
SMILESCl.Nc1ccc(S(=O)(=O)n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C18H14N2O2S.ClH/c19-13-9-11-14(12-10-13)23(21,22)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20;/h1-12H,19H2;1H
InChIKeyHJMQBMQZABZUFX-UHFFFAOYSA-N
MW358.85 g/mol
LogP4.04
Rot. Bonds2

About 4-carbazol-9-ylsulfonylaniline;hydrochloride

4-carbazol-9-ylsulfonylaniline;hydrochloride (PubChem CID 71450930) has the molecular formula C18H15ClN2O2S and a molecular weight of 358.85 g/mol. Its IUPAC name is 4-carbazol-9-ylsulfonylaniline;hydrochloride.

Molecular Properties

Compound Name4-carbazol-9-ylsulfonylaniline;hydrochloride
PubChem CID71450930
Molecular FormulaC18H15ClN2O2S
Molecular Weight358.85 g/mol
Exact Mass358.05
IUPAC Name4-carbazol-9-ylsulfonylaniline;hydrochloride
SMILESCl.Nc1ccc(S(=O)(=O)n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C18H14N2O2S.ClH/c19-13-9-11-14(12-10-13)23(21,22)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20;/h1-12H,19H2;1H
InChIKeyHJMQBMQZABZUFX-UHFFFAOYSA-N
XLogP4.04
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-carbazol-9-ylsulfonylaniline;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-ylsulfonylaniline;hydrochloride?
The IUPAC name of 4-carbazol-9-ylsulfonylaniline;hydrochloride (CID 71450930) is 4-carbazol-9-ylsulfonylaniline;hydrochloride.
What is the SMILES notation for 4-carbazol-9-ylsulfonylaniline;hydrochloride?
The canonical SMILES for 4-carbazol-9-ylsulfonylaniline;hydrochloride is Cl.Nc1ccc(S(=O)(=O)n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 4-carbazol-9-ylsulfonylaniline;hydrochloride?
The InChIKey is HJMQBMQZABZUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2S.ClH/c19-13-9-11-14(12-10-13)23(21,22)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20;/h1-12H,19H2;1H.
What are the key properties of 4-carbazol-9-ylsulfonylaniline;hydrochloride?
4-carbazol-9-ylsulfonylaniline;hydrochloride has a molecular weight of 358.85 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-ylsulfonylaniline;hydrochloride is sourced from PubChem (CID 71450930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).