2-(2,5-dichlorophenyl)sulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine

C16H15Cl2NOS — CID 64657542

IUPAC2-(2,5-dichlorophenyl)sulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESNC1c2ccccc2CCC1S(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H15Cl2NOS/c17-11-6-7-13(18)15(9-11)21(20)14-8-5-10-3-1-2-4-12(10)16(14)19/h1-4,6-7,9,14,16H,5,8,19H2
InChIKeyVVVIMUKIVJARHL-UHFFFAOYSA-N
MW340.28 g/mol
LogP4.12
Rot. Bonds2

About 2-(2,5-dichlorophenyl)sulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine

2-(2,5-dichlorophenyl)sulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 64657542) has the molecular formula C16H15Cl2NOS and a molecular weight of 340.28 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID64657542
Molecular FormulaC16H15Cl2NOS
Molecular Weight340.28 g/mol
Exact Mass339.03
IUPAC Name2-(2,5-dichlorophenyl)sulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESNC1c2ccccc2CCC1S(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H15Cl2NOS/c17-11-6-7-13(18)15(9-11)21(20)14-8-5-10-3-1-2-4-12(10)16(14)19/h1-4,6-7,9,14,16H,5,8,19H2
InChIKeyVVVIMUKIVJARHL-UHFFFAOYSA-N
XLogP4.12
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.28
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,5-dichlorophenyl)sulfinyl-1,2,3,4-tetrahydronaphthalen-1-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 2-(2,5-dichlorophenyl)sulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 64657542) is 2-(2,5-dichlorophenyl)sulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine is NC1c2ccccc2CCC1S(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is VVVIMUKIVJARHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NOS/c17-11-6-7-13(18)15(9-11)21(20)14-8-5-10-3-1-2-4-12(10)16(14)19/h1-4,6-7,9,14,16H,5,8,19H2.
What are the key properties of 2-(2,5-dichlorophenyl)sulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine?
2-(2,5-dichlorophenyl)sulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 340.28 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 64657542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).