[4-[(2,5-difluorophenyl)sulfinylmethyl]phenyl]methanamine

C14H13F2NOS — CID 81328368

IUPAC[4-[(2,5-difluorophenyl)sulfinylmethyl]phenyl]methanamine
SMILESNCc1ccc(CS(=O)c2cc(F)ccc2F)cc1
InChIInChI=1S/C14H13F2NOS/c15-12-5-6-13(16)14(7-12)19(18)9-11-3-1-10(8-17)2-4-11/h1-7H,8-9,17H2
InChIKeyLMAYHRRFRWBONW-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.73
Rot. Bonds4

About [4-[(2,5-difluorophenyl)sulfinylmethyl]phenyl]methanamine

[4-[(2,5-difluorophenyl)sulfinylmethyl]phenyl]methanamine (PubChem CID 81328368) has the molecular formula C14H13F2NOS and a molecular weight of 281.33 g/mol. Its IUPAC name is [4-[(2,5-difluorophenyl)sulfinylmethyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[(2,5-difluorophenyl)sulfinylmethyl]phenyl]methanamine
PubChem CID81328368
Molecular FormulaC14H13F2NOS
Molecular Weight281.33 g/mol
Exact Mass281.07
IUPAC Name[4-[(2,5-difluorophenyl)sulfinylmethyl]phenyl]methanamine
SMILESNCc1ccc(CS(=O)c2cc(F)ccc2F)cc1
InChIInChI=1S/C14H13F2NOS/c15-12-5-6-13(16)14(7-12)19(18)9-11-3-1-10(8-17)2-4-11/h1-7H,8-9,17H2
InChIKeyLMAYHRRFRWBONW-UHFFFAOYSA-N
XLogP2.73
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[(2,5-difluorophenyl)sulfinylmethyl]-4-methoxyphenyl]methanamine
CID 64653492
5-[(2,5-difluorophenyl)sulfinylmethyl]-2-fluorobenzonitrile
CID 107894573
5-(2,5-difluorophenyl)sulfinylpentan-1-amine
CID 81328148
2-(2,5-difluorophenyl)sulfinylacetaldehyde
CID 66223483
[4-[2-(2,4-difluorophenyl)sulfinylethoxy]phenyl]methanamine
CID 81328224
2-[(4-ethylphenyl)methylsulfinyl]-5-fluoroaniline
CID 81186273
6-[(2,5-difluorophenyl)sulfinylmethyl]pyridine-2-carboxylic acid
CID 106905200
5-fluoro-2-[(4-methoxyphenyl)methylsulfinyl]aniline
CID 81184508
3-bromo-4-[(2,5-difluorophenyl)sulfinylmethyl]aniline
CID 61289437
3-[(2,5-difluorophenyl)sulfinylmethyl]-1-(4-fluorophenyl)pyrazole
CID 119039085
2-(2,5-difluorophenyl)sulfinyl-1-(4-ethylphenyl)ethanone
CID 64640534
[4-[(2-methylphenyl)sulfinylmethyl]phenyl]methanamine
CID 81328972

Frequently Asked Questions

What is the IUPAC name of [4-[(2,5-difluorophenyl)sulfinylmethyl]phenyl]methanamine?
The IUPAC name of [4-[(2,5-difluorophenyl)sulfinylmethyl]phenyl]methanamine (CID 81328368) is [4-[(2,5-difluorophenyl)sulfinylmethyl]phenyl]methanamine.
What is the SMILES notation for [4-[(2,5-difluorophenyl)sulfinylmethyl]phenyl]methanamine?
The canonical SMILES for [4-[(2,5-difluorophenyl)sulfinylmethyl]phenyl]methanamine is NCc1ccc(CS(=O)c2cc(F)ccc2F)cc1.
What is the InChIKey of [4-[(2,5-difluorophenyl)sulfinylmethyl]phenyl]methanamine?
The InChIKey is LMAYHRRFRWBONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NOS/c15-12-5-6-13(16)14(7-12)19(18)9-11-3-1-10(8-17)2-4-11/h1-7H,8-9,17H2.
What are the key properties of [4-[(2,5-difluorophenyl)sulfinylmethyl]phenyl]methanamine?
[4-[(2,5-difluorophenyl)sulfinylmethyl]phenyl]methanamine has a molecular weight of 281.33 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,5-difluorophenyl)sulfinylmethyl]phenyl]methanamine is sourced from PubChem (CID 81328368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).