4-(4-chlorophenyl)sulfonyl-2-methylbenzo[g][1,3]benzothiazol-5-amine

C18H13ClN2O2S2 — CID 70682334

IUPAC4-(4-chlorophenyl)sulfonyl-2-methylbenzo[g][1,3]benzothiazol-5-amine
SMILESCc1nc2c(S(=O)(=O)c3ccc(Cl)cc3)c(N)c3ccccc3c2s1
InChIInChI=1S/C18H13ClN2O2S2/c1-10-21-16-17(24-10)14-5-3-2-4-13(14)15(20)18(16)25(22,23)12-8-6-11(19)7-9-12/h2-9H,20H2,1H3
InChIKeyIJGPZVVKMJTJDL-UHFFFAOYSA-N
MW388.90 g/mol
LogP4.83
Rot. Bonds2

About 4-(4-chlorophenyl)sulfonyl-2-methylbenzo[g][1,3]benzothiazol-5-amine

4-(4-chlorophenyl)sulfonyl-2-methylbenzo[g][1,3]benzothiazol-5-amine (PubChem CID 70682334) has the molecular formula C18H13ClN2O2S2 and a molecular weight of 388.90 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-2-methylbenzo[g][1,3]benzothiazol-5-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-2-methylbenzo[g][1,3]benzothiazol-5-amine
PubChem CID70682334
Molecular FormulaC18H13ClN2O2S2
Molecular Weight388.90 g/mol
Exact Mass388.01
IUPAC Name4-(4-chlorophenyl)sulfonyl-2-methylbenzo[g][1,3]benzothiazol-5-amine
SMILESCc1nc2c(S(=O)(=O)c3ccc(Cl)cc3)c(N)c3ccccc3c2s1
InChIInChI=1S/C18H13ClN2O2S2/c1-10-21-16-17(24-10)14-5-3-2-4-13(14)15(20)18(16)25(22,23)12-8-6-11(19)7-9-12/h2-9H,20H2,1H3
InChIKeyIJGPZVVKMJTJDL-UHFFFAOYSA-N
XLogP4.83
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(4-chlorophenyl)sulfonyl-2-methylbenzo[g][1,3]benzothiazol-5-amine 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-(4-chlorophenyl)sulfonyl-2-methylbenzo[g][1,3]benzothiazol-5-amine?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-2-methylbenzo[g][1,3]benzothiazol-5-amine (CID 70682334) is 4-(4-chlorophenyl)sulfonyl-2-methylbenzo[g][1,3]benzothiazol-5-amine.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-2-methylbenzo[g][1,3]benzothiazol-5-amine?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-2-methylbenzo[g][1,3]benzothiazol-5-amine is Cc1nc2c(S(=O)(=O)c3ccc(Cl)cc3)c(N)c3ccccc3c2s1.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-2-methylbenzo[g][1,3]benzothiazol-5-amine?
The InChIKey is IJGPZVVKMJTJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O2S2/c1-10-21-16-17(24-10)14-5-3-2-4-13(14)15(20)18(16)25(22,23)12-8-6-11(19)7-9-12/h2-9H,20H2,1H3.
What are the key properties of 4-(4-chlorophenyl)sulfonyl-2-methylbenzo[g][1,3]benzothiazol-5-amine?
4-(4-chlorophenyl)sulfonyl-2-methylbenzo[g][1,3]benzothiazol-5-amine has a molecular weight of 388.90 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-2-methylbenzo[g][1,3]benzothiazol-5-amine is sourced from PubChem (CID 70682334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).