5-chloro-2-[(4-chlorophenyl)methylsulfinyl]aniline

C13H11Cl2NOS — CID 81175311

IUPAC5-chloro-2-[(4-chlorophenyl)methylsulfinyl]aniline
SMILESNc1cc(Cl)ccc1S(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H11Cl2NOS/c14-10-3-1-9(2-4-10)8-18(17)13-6-5-11(15)7-12(13)16/h1-7H,8,16H2
InChIKeyDRINLKDBLRRRJX-UHFFFAOYSA-N
MW300.21 g/mol
LogP3.88
Rot. Bonds3

About 5-chloro-2-[(4-chlorophenyl)methylsulfinyl]aniline

5-chloro-2-[(4-chlorophenyl)methylsulfinyl]aniline (PubChem CID 81175311) has the molecular formula C13H11Cl2NOS and a molecular weight of 300.21 g/mol. Its IUPAC name is 5-chloro-2-[(4-chlorophenyl)methylsulfinyl]aniline.

Molecular Properties

Compound Name5-chloro-2-[(4-chlorophenyl)methylsulfinyl]aniline
PubChem CID81175311
Molecular FormulaC13H11Cl2NOS
Molecular Weight300.21 g/mol
Exact Mass298.99
IUPAC Name5-chloro-2-[(4-chlorophenyl)methylsulfinyl]aniline
SMILESNc1cc(Cl)ccc1S(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H11Cl2NOS/c14-10-3-1-9(2-4-10)8-18(17)13-6-5-11(15)7-12(13)16/h1-7H,8,16H2
InChIKeyDRINLKDBLRRRJX-UHFFFAOYSA-N
XLogP3.88
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-[(4-chloro-3-fluorophenyl)methylsulfinyl]aniline
CID 107889453
5-chloro-2-[(2,6-difluorophenyl)methylsulfinyl]aniline
CID 114935211
5-chloro-2-propylsulfinylaniline
CID 81175936
2-(2-amino-4-chlorophenyl)sulfinyl-5-chloroaniline
CID 21272515
5-chloro-2-(2,2-difluoroethylsulfinyl)aniline
CID 81175816
2-(2-amino-4-chlorophenyl)sulfinylacetamide
CID 81176063
4-[(2-amino-5-chlorophenyl)sulfinylmethyl]benzamide
CID 81179968
5-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfinyl]aniline
CID 81175576
5-chloro-2-[(2-methoxyphenyl)methylsulfinyl]aniline
CID 81176075
5-chloro-2-(3,3-dimethylbutylsulfinyl)aniline
CID 81175330
2-[(4-ethylphenyl)methylsulfinyl]-5-fluoroaniline
CID 81186273
5-chloro-2-(2-methylsulfonylethylsulfinyl)aniline
CID 81175460

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(4-chlorophenyl)methylsulfinyl]aniline?
The IUPAC name of 5-chloro-2-[(4-chlorophenyl)methylsulfinyl]aniline (CID 81175311) is 5-chloro-2-[(4-chlorophenyl)methylsulfinyl]aniline.
What is the SMILES notation for 5-chloro-2-[(4-chlorophenyl)methylsulfinyl]aniline?
The canonical SMILES for 5-chloro-2-[(4-chlorophenyl)methylsulfinyl]aniline is Nc1cc(Cl)ccc1S(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 5-chloro-2-[(4-chlorophenyl)methylsulfinyl]aniline?
The InChIKey is DRINLKDBLRRRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NOS/c14-10-3-1-9(2-4-10)8-18(17)13-6-5-11(15)7-12(13)16/h1-7H,8,16H2.
What are the key properties of 5-chloro-2-[(4-chlorophenyl)methylsulfinyl]aniline?
5-chloro-2-[(4-chlorophenyl)methylsulfinyl]aniline has a molecular weight of 300.21 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(4-chlorophenyl)methylsulfinyl]aniline is sourced from PubChem (CID 81175311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).