[2-[(3,4-dichlorophenyl)sulfinylmethyl]-4-fluorophenyl]methanamine

C14H12Cl2FNOS — CID 81333539

IUPAC[2-[(3,4-dichlorophenyl)sulfinylmethyl]-4-fluorophenyl]methanamine
SMILESNCc1ccc(F)cc1CS(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl2FNOS/c15-13-4-3-12(6-14(13)16)20(19)8-10-5-11(17)2-1-9(10)7-18/h1-6H,7-8,18H2
InChIKeyUZIUHGKCACOWPZ-UHFFFAOYSA-N
MW332.23 g/mol
LogP3.90
Rot. Bonds4

About [2-[(3,4-dichlorophenyl)sulfinylmethyl]-4-fluorophenyl]methanamine

[2-[(3,4-dichlorophenyl)sulfinylmethyl]-4-fluorophenyl]methanamine (PubChem CID 81333539) has the molecular formula C14H12Cl2FNOS and a molecular weight of 332.23 g/mol. Its IUPAC name is [2-[(3,4-dichlorophenyl)sulfinylmethyl]-4-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-[(3,4-dichlorophenyl)sulfinylmethyl]-4-fluorophenyl]methanamine
PubChem CID81333539
Molecular FormulaC14H12Cl2FNOS
Molecular Weight332.23 g/mol
Exact Mass331.00
IUPAC Name[2-[(3,4-dichlorophenyl)sulfinylmethyl]-4-fluorophenyl]methanamine
SMILESNCc1ccc(F)cc1CS(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl2FNOS/c15-13-4-3-12(6-14(13)16)20(19)8-10-5-11(17)2-1-9(10)7-18/h1-6H,7-8,18H2
InChIKeyUZIUHGKCACOWPZ-UHFFFAOYSA-N
XLogP3.90
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-fluoro-2-[(4-fluorophenyl)sulfinylmethyl]phenyl]methanamine
CID 81328809
[2-[(4-bromophenyl)sulfinylmethyl]-4-fluorophenyl]methanamine
CID 81328246
[2-[(2-chlorophenyl)sulfinylmethyl]-5-fluorophenyl]methanamine
CID 81329605
[4-fluoro-2-(thiophen-2-ylsulfinylmethyl)phenyl]methanamine
CID 81329556
[2-[(2-bromophenyl)sulfinylmethyl]-4-fluorophenyl]methanamine
CID 81329052
[2-(aminomethyl)-4-fluorophenyl]methanamine
CID 44784876
4-[(2-chloro-5-fluorophenyl)methylsulfinyl]-3,5-difluoroaniline
CID 102619654
3-[(3-chloro-4-fluorophenyl)sulfinylmethyl]-4-methoxyaniline
CID 115477239
4-[(4-amino-3-chlorophenyl)sulfinylmethyl]-3-fluorobenzamide
CID 81201890
2-bromo-4-fluoro-1-[(4-fluorophenyl)sulfinylmethyl]benzene
CID 64715851
2-[(2,5-dichlorophenyl)sulfinylmethyl]-5-fluoroaniline
CID 64769008
[4-fluoro-2-(pentylsulfinylmethyl)phenyl]methanamine
CID 107766810

Frequently Asked Questions

What is the IUPAC name of [2-[(3,4-dichlorophenyl)sulfinylmethyl]-4-fluorophenyl]methanamine?
The IUPAC name of [2-[(3,4-dichlorophenyl)sulfinylmethyl]-4-fluorophenyl]methanamine (CID 81333539) is [2-[(3,4-dichlorophenyl)sulfinylmethyl]-4-fluorophenyl]methanamine.
What is the SMILES notation for [2-[(3,4-dichlorophenyl)sulfinylmethyl]-4-fluorophenyl]methanamine?
The canonical SMILES for [2-[(3,4-dichlorophenyl)sulfinylmethyl]-4-fluorophenyl]methanamine is NCc1ccc(F)cc1CS(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of [2-[(3,4-dichlorophenyl)sulfinylmethyl]-4-fluorophenyl]methanamine?
The InChIKey is UZIUHGKCACOWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FNOS/c15-13-4-3-12(6-14(13)16)20(19)8-10-5-11(17)2-1-9(10)7-18/h1-6H,7-8,18H2.
What are the key properties of [2-[(3,4-dichlorophenyl)sulfinylmethyl]-4-fluorophenyl]methanamine?
[2-[(3,4-dichlorophenyl)sulfinylmethyl]-4-fluorophenyl]methanamine has a molecular weight of 332.23 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,4-dichlorophenyl)sulfinylmethyl]-4-fluorophenyl]methanamine is sourced from PubChem (CID 81333539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).