2-(2-fluorophenyl)sulfanyl-4,5-dimethoxyaniline

C14H14FNO2S — CID 83008244

IUPAC2-(2-fluorophenyl)sulfanyl-4,5-dimethoxyaniline
SMILESCOc1cc(N)c(Sc2ccccc2F)cc1OC
InChIInChI=1S/C14H14FNO2S/c1-17-11-7-10(16)14(8-12(11)18-2)19-13-6-4-3-5-9(13)15/h3-8H,16H2,1-2H3
InChIKeyNDSJVSOYXMIVBC-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.58
Rot. Bonds4

About 2-(2-fluorophenyl)sulfanyl-4,5-dimethoxyaniline

2-(2-fluorophenyl)sulfanyl-4,5-dimethoxyaniline (PubChem CID 83008244) has the molecular formula C14H14FNO2S and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanyl-4,5-dimethoxyaniline.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanyl-4,5-dimethoxyaniline
PubChem CID83008244
Molecular FormulaC14H14FNO2S
Molecular Weight279.34 g/mol
Exact Mass279.07
IUPAC Name2-(2-fluorophenyl)sulfanyl-4,5-dimethoxyaniline
SMILESCOc1cc(N)c(Sc2ccccc2F)cc1OC
InChIInChI=1S/C14H14FNO2S/c1-17-11-7-10(16)14(8-12(11)18-2)19-13-6-4-3-5-9(13)15/h3-8H,16H2,1-2H3
InChIKeyNDSJVSOYXMIVBC-UHFFFAOYSA-N
XLogP3.58
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dimethoxyphenyl)-3,4-dimethoxybenzenesulfonamide
CID 1004366
Benzene, 1,1'-thiobis(4,5-dimethoxy-2-nitro-
CID 633876
m-Anisidine, 4-((5-(phenylthio)pentyl)oxy)-
CID 60195
2-Amino-4,5-dimethoxybenzenethiol
CID 13589902
N-(3,4-dimethoxyphenyl)-4-fluorobenzenesulfonamide
CID 741636
Benzenamine, 2-((4-aminophenyl)sulfonyl)-4,5-dimethoxy-
CID 60315
Benzene, 1,2-dimethoxy-4-nitro-5-((4-nitrophenyl)thio)-
CID 3044230
Benzenamine, 2-((4-aminophenyl)thio)-4,5-dimethoxy-
CID 3044231
1,2-Dimethoxy-4-nitro-5-(4-nitrobenzene-1-sulfinyl)benzene
CID 3044233
7-(Methylsulfanyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 47003128
4-Phenylthio-5-amino veratrole
CID 621535
4-Methoxy-2-(phenylthio)benzenamine
CID 80457171

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfanyl-4,5-dimethoxyaniline?
The IUPAC name of 2-(2-fluorophenyl)sulfanyl-4,5-dimethoxyaniline (CID 83008244) is 2-(2-fluorophenyl)sulfanyl-4,5-dimethoxyaniline.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanyl-4,5-dimethoxyaniline?
The canonical SMILES for 2-(2-fluorophenyl)sulfanyl-4,5-dimethoxyaniline is COc1cc(N)c(Sc2ccccc2F)cc1OC.
What is the InChIKey of 2-(2-fluorophenyl)sulfanyl-4,5-dimethoxyaniline?
The InChIKey is NDSJVSOYXMIVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2S/c1-17-11-7-10(16)14(8-12(11)18-2)19-13-6-4-3-5-9(13)15/h3-8H,16H2,1-2H3.
What are the key properties of 2-(2-fluorophenyl)sulfanyl-4,5-dimethoxyaniline?
2-(2-fluorophenyl)sulfanyl-4,5-dimethoxyaniline has a molecular weight of 279.34 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfanyl-4,5-dimethoxyaniline is sourced from PubChem (CID 83008244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).