5-chloro-2-(4-chlorophenyl)-N,N-dimethyl-1-benzothiophen-3-amine

C16H13Cl2NS — CID 21315895

IUPAC5-chloro-2-(4-chlorophenyl)-N,N-dimethyl-1-benzothiophen-3-amine
SMILESCN(C)c1c(-c2ccc(Cl)cc2)sc2ccc(Cl)cc12
InChIInChI=1S/C16H13Cl2NS/c1-19(2)15-13-9-12(18)7-8-14(13)20-16(15)10-3-5-11(17)6-4-10/h3-9H,1-2H3
InChIKeyDELXORIHGGFGES-UHFFFAOYSA-N
MW322.26 g/mol
LogP5.94
Rot. Bonds2

About 5-chloro-2-(4-chlorophenyl)-N,N-dimethyl-1-benzothiophen-3-amine

5-chloro-2-(4-chlorophenyl)-N,N-dimethyl-1-benzothiophen-3-amine (PubChem CID 21315895) has the molecular formula C16H13Cl2NS and a molecular weight of 322.26 g/mol. Its IUPAC name is 5-chloro-2-(4-chlorophenyl)-N,N-dimethyl-1-benzothiophen-3-amine.

Molecular Properties

Compound Name5-chloro-2-(4-chlorophenyl)-N,N-dimethyl-1-benzothiophen-3-amine
PubChem CID21315895
Molecular FormulaC16H13Cl2NS
Molecular Weight322.26 g/mol
Exact Mass321.01
IUPAC Name5-chloro-2-(4-chlorophenyl)-N,N-dimethyl-1-benzothiophen-3-amine
SMILESCN(C)c1c(-c2ccc(Cl)cc2)sc2ccc(Cl)cc12
InChIInChI=1S/C16H13Cl2NS/c1-19(2)15-13-9-12(18)7-8-14(13)20-16(15)10-3-5-11(17)6-4-10/h3-9H,1-2H3
InChIKeyDELXORIHGGFGES-UHFFFAOYSA-N
XLogP5.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.26
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-chlorophenyl)-N,N-dimethyl-1-benzothiophen-3-amine?
The IUPAC name of 5-chloro-2-(4-chlorophenyl)-N,N-dimethyl-1-benzothiophen-3-amine (CID 21315895) is 5-chloro-2-(4-chlorophenyl)-N,N-dimethyl-1-benzothiophen-3-amine.
What is the SMILES notation for 5-chloro-2-(4-chlorophenyl)-N,N-dimethyl-1-benzothiophen-3-amine?
The canonical SMILES for 5-chloro-2-(4-chlorophenyl)-N,N-dimethyl-1-benzothiophen-3-amine is CN(C)c1c(-c2ccc(Cl)cc2)sc2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-2-(4-chlorophenyl)-N,N-dimethyl-1-benzothiophen-3-amine?
The InChIKey is DELXORIHGGFGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NS/c1-19(2)15-13-9-12(18)7-8-14(13)20-16(15)10-3-5-11(17)6-4-10/h3-9H,1-2H3.
What are the key properties of 5-chloro-2-(4-chlorophenyl)-N,N-dimethyl-1-benzothiophen-3-amine?
5-chloro-2-(4-chlorophenyl)-N,N-dimethyl-1-benzothiophen-3-amine has a molecular weight of 322.26 g/mol, XLogP of 5.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-chlorophenyl)-N,N-dimethyl-1-benzothiophen-3-amine is sourced from PubChem (CID 21315895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).