3-chloro-N-(2-chlorophenyl)-1-benzothiophen-2-amine

C14H9Cl2NS — CID 3655434

IUPAC3-chloro-N-(2-chlorophenyl)-1-benzothiophen-2-amine
SMILESClc1ccccc1Nc1sc2ccccc2c1Cl
InChIInChI=1S/C14H9Cl2NS/c15-10-6-2-3-7-11(10)17-14-13(16)9-5-1-4-8-12(9)18-14/h1-8,17H
InChIKeySDNAWYZOFOICPK-UHFFFAOYSA-N
MW294.21 g/mol
LogP5.95
Rot. Bonds2

About 3-chloro-N-(2-chlorophenyl)-1-benzothiophen-2-amine

3-chloro-N-(2-chlorophenyl)-1-benzothiophen-2-amine (PubChem CID 3655434) has the molecular formula C14H9Cl2NS and a molecular weight of 294.21 g/mol. Its IUPAC name is 3-chloro-N-(2-chlorophenyl)-1-benzothiophen-2-amine.

Molecular Properties

Compound Name3-chloro-N-(2-chlorophenyl)-1-benzothiophen-2-amine
PubChem CID3655434
Molecular FormulaC14H9Cl2NS
Molecular Weight294.21 g/mol
Exact Mass292.98
IUPAC Name3-chloro-N-(2-chlorophenyl)-1-benzothiophen-2-amine
SMILESClc1ccccc1Nc1sc2ccccc2c1Cl
InChIInChI=1S/C14H9Cl2NS/c15-10-6-2-3-7-11(10)17-14-13(16)9-5-1-4-8-12(9)18-14/h1-8,17H
InChIKeySDNAWYZOFOICPK-UHFFFAOYSA-N
XLogP5.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.21
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-chloro-N-(2-chlorophenyl)-1-benzothiophen-2-amine 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

3-methyl-N-phenyl-1-benzothiophene-2-carbothioamide
CID 2824353
N3-(3-Chloro-4-fluorophenyl) benzo[b] thiophene-2,3-diamine
CID 86582634
N3-(4-Chloro-3-(trifluoro-methyl)phenyl) benzo[b] thiophene-2,3-diamine
CID 86582637
5-Chloro-N3-phenylbenzo[b] thiophene-2,3-diamine
CID 86582781
5-Chloro-N3-(4-fluorophenyl) benzo[b] thiophene-2,3-diamine
CID 86582782
N3-phenylbenzo[b]thiophene-2,3-diamine
CID 86709236
5-chloro-3-N-(3-chloro-4-fluorophenyl)-1-benzothiophene-2,3-diamine;hydrochloride
CID 117698165
N3-(3-Chlorophenyl) benzo[b] thiophene-2,3-diamine
CID 117704973
5-chloro-3-N-[3-(trifluoromethyl)phenyl]-1-benzothiophene-2,3-diamine;hydrochloride
CID 118871046
5-Chloro-N3-(3-(trifluoro-methyl)phenyl) benzo[b] thiophene-2,3-diamine hydrochloride
CID 140841359
1-(3-Chloro-1-benzothiophen-2-yl)-3-(3-methylphenyl)urea
CID 46236949
2-(4-Chloroanilino)-1-benzothiophene-3-carbonitrile
CID 166629938

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-chlorophenyl)-1-benzothiophen-2-amine?
The IUPAC name of 3-chloro-N-(2-chlorophenyl)-1-benzothiophen-2-amine (CID 3655434) is 3-chloro-N-(2-chlorophenyl)-1-benzothiophen-2-amine.
What is the SMILES notation for 3-chloro-N-(2-chlorophenyl)-1-benzothiophen-2-amine?
The canonical SMILES for 3-chloro-N-(2-chlorophenyl)-1-benzothiophen-2-amine is Clc1ccccc1Nc1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-(2-chlorophenyl)-1-benzothiophen-2-amine?
The InChIKey is SDNAWYZOFOICPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2NS/c15-10-6-2-3-7-11(10)17-14-13(16)9-5-1-4-8-12(9)18-14/h1-8,17H.
What are the key properties of 3-chloro-N-(2-chlorophenyl)-1-benzothiophen-2-amine?
3-chloro-N-(2-chlorophenyl)-1-benzothiophen-2-amine has a molecular weight of 294.21 g/mol, XLogP of 5.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-chlorophenyl)-1-benzothiophen-2-amine is sourced from PubChem (CID 3655434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).