[2-[(2-chlorophenyl)sulfinylmethyl]-5-fluorophenyl]methanamine

C14H13ClFNOS — CID 81329605

IUPAC[2-[(2-chlorophenyl)sulfinylmethyl]-5-fluorophenyl]methanamine
SMILESNCc1cc(F)ccc1CS(=O)c1ccccc1Cl
InChIInChI=1S/C14H13ClFNOS/c15-13-3-1-2-4-14(13)19(18)9-10-5-6-12(16)7-11(10)8-17/h1-7H,8-9,17H2
InChIKeyINTJASBEBLSFGU-UHFFFAOYSA-N
MW297.78 g/mol
LogP3.25
Rot. Bonds4

About [2-[(2-chlorophenyl)sulfinylmethyl]-5-fluorophenyl]methanamine

[2-[(2-chlorophenyl)sulfinylmethyl]-5-fluorophenyl]methanamine (PubChem CID 81329605) has the molecular formula C14H13ClFNOS and a molecular weight of 297.78 g/mol. Its IUPAC name is [2-[(2-chlorophenyl)sulfinylmethyl]-5-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-[(2-chlorophenyl)sulfinylmethyl]-5-fluorophenyl]methanamine
PubChem CID81329605
Molecular FormulaC14H13ClFNOS
Molecular Weight297.78 g/mol
Exact Mass297.04
IUPAC Name[2-[(2-chlorophenyl)sulfinylmethyl]-5-fluorophenyl]methanamine
SMILESNCc1cc(F)ccc1CS(=O)c1ccccc1Cl
InChIInChI=1S/C14H13ClFNOS/c15-13-3-1-2-4-14(13)19(18)9-10-5-6-12(16)7-11(10)8-17/h1-7H,8-9,17H2
InChIKeyINTJASBEBLSFGU-UHFFFAOYSA-N
XLogP3.25
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(2-bromophenyl)sulfinylmethyl]-5-fluorophenyl]methanamine
CID 81328755
[5-fluoro-2-[(2-methoxyphenyl)sulfinylmethyl]phenyl]methanamine
CID 81328070
[2-[(2-bromophenyl)sulfinylmethyl]-4-fluorophenyl]methanamine
CID 81329052
[2-[(3,4-dichlorophenyl)sulfinylmethyl]-4-fluorophenyl]methanamine
CID 81333539
2-[(3-chloro-2-fluorophenyl)methylsulfinyl]-5-fluoroaniline
CID 102864583
2-[(2,5-dichlorophenyl)sulfinylmethyl]-5-fluoroaniline
CID 64769008
[5-fluoro-2-[(2-methylphenyl)methylsulfinylmethyl]phenyl]methanamine
CID 81333163
[4-fluoro-2-[(4-fluorophenyl)sulfinylmethyl]phenyl]methanamine
CID 81328809
[2-(aminomethyl)-4-fluorophenyl]methanamine
CID 44784876
[4-fluoro-2-(thiophen-2-ylsulfinylmethyl)phenyl]methanamine
CID 81329556
[2-fluoro-3-[(2-fluorophenyl)sulfinylmethyl]phenyl]methanamine
CID 107120145
[2-(2-chlorophenoxy)-5-fluorophenyl]methanamine
CID 43314193

Frequently Asked Questions

What is the IUPAC name of [2-[(2-chlorophenyl)sulfinylmethyl]-5-fluorophenyl]methanamine?
The IUPAC name of [2-[(2-chlorophenyl)sulfinylmethyl]-5-fluorophenyl]methanamine (CID 81329605) is [2-[(2-chlorophenyl)sulfinylmethyl]-5-fluorophenyl]methanamine.
What is the SMILES notation for [2-[(2-chlorophenyl)sulfinylmethyl]-5-fluorophenyl]methanamine?
The canonical SMILES for [2-[(2-chlorophenyl)sulfinylmethyl]-5-fluorophenyl]methanamine is NCc1cc(F)ccc1CS(=O)c1ccccc1Cl.
What is the InChIKey of [2-[(2-chlorophenyl)sulfinylmethyl]-5-fluorophenyl]methanamine?
The InChIKey is INTJASBEBLSFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNOS/c15-13-3-1-2-4-14(13)19(18)9-10-5-6-12(16)7-11(10)8-17/h1-7H,8-9,17H2.
What are the key properties of [2-[(2-chlorophenyl)sulfinylmethyl]-5-fluorophenyl]methanamine?
[2-[(2-chlorophenyl)sulfinylmethyl]-5-fluorophenyl]methanamine has a molecular weight of 297.78 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chlorophenyl)sulfinylmethyl]-5-fluorophenyl]methanamine is sourced from PubChem (CID 81329605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).