3-chloro-2-[(2-chlorophenyl)methylsulfinyl]aniline

C13H11Cl2NOS — CID 81185714

IUPAC3-chloro-2-[(2-chlorophenyl)methylsulfinyl]aniline
SMILESNc1cccc(Cl)c1S(=O)Cc1ccccc1Cl
InChIInChI=1S/C13H11Cl2NOS/c14-10-5-2-1-4-9(10)8-18(17)13-11(15)6-3-7-12(13)16/h1-7H,8,16H2
InChIKeyJFGRMBJWIAVLHP-UHFFFAOYSA-N
MW300.21 g/mol
LogP3.88
Rot. Bonds3

About 3-chloro-2-[(2-chlorophenyl)methylsulfinyl]aniline

3-chloro-2-[(2-chlorophenyl)methylsulfinyl]aniline (PubChem CID 81185714) has the molecular formula C13H11Cl2NOS and a molecular weight of 300.21 g/mol. Its IUPAC name is 3-chloro-2-[(2-chlorophenyl)methylsulfinyl]aniline.

Molecular Properties

Compound Name3-chloro-2-[(2-chlorophenyl)methylsulfinyl]aniline
PubChem CID81185714
Molecular FormulaC13H11Cl2NOS
Molecular Weight300.21 g/mol
Exact Mass298.99
IUPAC Name3-chloro-2-[(2-chlorophenyl)methylsulfinyl]aniline
SMILESNc1cccc(Cl)c1S(=O)Cc1ccccc1Cl
InChIInChI=1S/C13H11Cl2NOS/c14-10-5-2-1-4-9(10)8-18(17)13-11(15)6-3-7-12(13)16/h1-7H,8,16H2
InChIKeyJFGRMBJWIAVLHP-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

3-chloro-2-[(3-chloro-4-pyridinyl)methylsulfinyl]aniline
CID 81184112
2-[(2-bromo-4-fluorophenyl)methylsulfinyl]-3-chloroaniline
CID 81185478
3-chloro-2-[(5-chloro-2-methoxyphenyl)methylsulfinyl]aniline
CID 81185133
3-chloro-2-propylsulfinylaniline
CID 81185466
3-chloro-2-(methoxymethylsulfinyl)aniline
CID 81184118
3-[(2-chlorophenyl)methylsulfinylmethyl]-2-fluoroaniline
CID 107350497
3-chloro-2-(2-methylpropylsulfinyl)aniline
CID 81184949
2-[(2-bromo-5-methoxyphenyl)methylsulfinyl]-3-chloroaniline
CID 81186245
3-chloro-2-(cyclopropylmethylsulfinyl)aniline
CID 81184967
3-chloro-2-(2,2-difluoro-2-phenylethyl)sulfinylaniline
CID 116790938
3-chloro-2-(4-phenylbutylsulfinyl)aniline
CID 114335078
3-bromo-2-[(2-chlorophenyl)methylsulfinylmethyl]aniline
CID 103289260

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(2-chlorophenyl)methylsulfinyl]aniline?
The IUPAC name of 3-chloro-2-[(2-chlorophenyl)methylsulfinyl]aniline (CID 81185714) is 3-chloro-2-[(2-chlorophenyl)methylsulfinyl]aniline.
What is the SMILES notation for 3-chloro-2-[(2-chlorophenyl)methylsulfinyl]aniline?
The canonical SMILES for 3-chloro-2-[(2-chlorophenyl)methylsulfinyl]aniline is Nc1cccc(Cl)c1S(=O)Cc1ccccc1Cl.
What is the InChIKey of 3-chloro-2-[(2-chlorophenyl)methylsulfinyl]aniline?
The InChIKey is JFGRMBJWIAVLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NOS/c14-10-5-2-1-4-9(10)8-18(17)13-11(15)6-3-7-12(13)16/h1-7H,8,16H2.
What are the key properties of 3-chloro-2-[(2-chlorophenyl)methylsulfinyl]aniline?
3-chloro-2-[(2-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 3-chloro-2-[(2-chlorophenyl)methylsulfinyl]aniline is sourced from PubChem (CID 81185714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).