2-chloro-4-[(2-fluorophenyl)methylsulfinyl]aniline

C13H11ClFNOS — CID 81202034

IUPAC2-chloro-4-[(2-fluorophenyl)methylsulfinyl]aniline
SMILESNc1ccc(S(=O)Cc2ccccc2F)cc1Cl
InChIInChI=1S/C13H11ClFNOS/c14-11-7-10(5-6-13(11)16)18(17)8-9-3-1-2-4-12(9)15/h1-7H,8,16H2
InChIKeySTFSESRBLJKDCP-UHFFFAOYSA-N
MW283.75 g/mol
LogP3.37
Rot. Bonds3

About 2-chloro-4-[(2-fluorophenyl)methylsulfinyl]aniline

2-chloro-4-[(2-fluorophenyl)methylsulfinyl]aniline (PubChem CID 81202034) has the molecular formula C13H11ClFNOS and a molecular weight of 283.75 g/mol. Its IUPAC name is 2-chloro-4-[(2-fluorophenyl)methylsulfinyl]aniline.

Molecular Properties

Compound Name2-chloro-4-[(2-fluorophenyl)methylsulfinyl]aniline
PubChem CID81202034
Molecular FormulaC13H11ClFNOS
Molecular Weight283.75 g/mol
Exact Mass283.02
IUPAC Name2-chloro-4-[(2-fluorophenyl)methylsulfinyl]aniline
SMILESNc1ccc(S(=O)Cc2ccccc2F)cc1Cl
InChIInChI=1S/C13H11ClFNOS/c14-11-7-10(5-6-13(11)16)18(17)8-9-3-1-2-4-12(9)15/h1-7H,8,16H2
InChIKeySTFSESRBLJKDCP-UHFFFAOYSA-N
XLogP3.37
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 53.37
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

4-[(4-amino-3-chlorophenyl)sulfinylmethyl]-3-fluorobenzamide
CID 81201890
4-benzylsulfinyl-2-chloroaniline
CID 81202131
4-[(5-chloro-2-fluorophenyl)methylsulfinyl]-2-methylaniline
CID 103051912
2-chloro-4-[(2-methyl-3-nitrophenyl)methylsulfinyl]aniline
CID 81202529
4-[(3-bromo-5-fluorophenyl)methylsulfinyl]-2-chloroaniline
CID 81202024
4-[(3,4-dichlorophenyl)methylsulfinyl]-2-fluoroaniline
CID 81190837
4-[(2-chloro-6-fluorophenyl)methylsulfinyl]-2-methylaniline
CID 81182402
3-[(2-chlorophenyl)methylsulfinyl]-5-fluoroaniline
CID 81182107
5-bromo-2-[(2-fluorophenyl)methylsulfinyl]aniline
CID 81186079
4-chloro-3-[(2-chloro-3-fluorophenyl)methylsulfinyl]aniline
CID 112655124
4-chloro-2-[(2-chloro-3-fluorophenyl)methylsulfinyl]aniline
CID 112655093
4-[(3-chlorophenyl)sulfinylmethyl]-3-fluoroaniline
CID 64768903

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(2-fluorophenyl)methylsulfinyl]aniline?
The IUPAC name of 2-chloro-4-[(2-fluorophenyl)methylsulfinyl]aniline (CID 81202034) is 2-chloro-4-[(2-fluorophenyl)methylsulfinyl]aniline.
What is the SMILES notation for 2-chloro-4-[(2-fluorophenyl)methylsulfinyl]aniline?
The canonical SMILES for 2-chloro-4-[(2-fluorophenyl)methylsulfinyl]aniline is Nc1ccc(S(=O)Cc2ccccc2F)cc1Cl.
What is the InChIKey of 2-chloro-4-[(2-fluorophenyl)methylsulfinyl]aniline?
The InChIKey is STFSESRBLJKDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNOS/c14-11-7-10(5-6-13(11)16)18(17)8-9-3-1-2-4-12(9)15/h1-7H,8,16H2.
What are the key properties of 2-chloro-4-[(2-fluorophenyl)methylsulfinyl]aniline?
2-chloro-4-[(2-fluorophenyl)methylsulfinyl]aniline has a molecular weight of 283.75 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(2-fluorophenyl)methylsulfinyl]aniline is sourced from PubChem (CID 81202034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).