2-(2,5-dichlorophenyl)sulfanyl-5-fluoro-4-propoxyaniline

C15H14Cl2FNOS — CID 63594245

IUPAC2-(2,5-dichlorophenyl)sulfanyl-5-fluoro-4-propoxyaniline
SMILESCCCOc1cc(Sc2cc(Cl)ccc2Cl)c(N)cc1F
InChIInChI=1S/C15H14Cl2FNOS/c1-2-5-20-13-8-15(12(19)7-11(13)18)21-14-6-9(16)3-4-10(14)17/h3-4,6-8H,2,5,19H2,1H3
InChIKeyXJHBQAMTLZINSM-UHFFFAOYSA-N
MW346.25 g/mol
LogP5.65
Rot. Bonds5

About 2-(2,5-dichlorophenyl)sulfanyl-5-fluoro-4-propoxyaniline

2-(2,5-dichlorophenyl)sulfanyl-5-fluoro-4-propoxyaniline (PubChem CID 63594245) has the molecular formula C15H14Cl2FNOS and a molecular weight of 346.25 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfanyl-5-fluoro-4-propoxyaniline.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfanyl-5-fluoro-4-propoxyaniline
PubChem CID63594245
Molecular FormulaC15H14Cl2FNOS
Molecular Weight346.25 g/mol
Exact Mass345.02
IUPAC Name2-(2,5-dichlorophenyl)sulfanyl-5-fluoro-4-propoxyaniline
SMILESCCCOc1cc(Sc2cc(Cl)ccc2Cl)c(N)cc1F
InChIInChI=1S/C15H14Cl2FNOS/c1-2-5-20-13-8-15(12(19)7-11(13)18)21-14-6-9(16)3-4-10(14)17/h3-4,6-8H,2,5,19H2,1H3
InChIKeyXJHBQAMTLZINSM-UHFFFAOYSA-N
XLogP5.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.25
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromophenyl)sulfanyl-5-fluoro-4-propoxyaniline
CID 63592470
5-fluoro-2-(1-methylimidazol-2-yl)sulfanyl-4-propoxyaniline
CID 63594235
5-chloro-2-(2,5-dichlorophenyl)sulfanylaniline
CID 29298573
2-(2-chlorophenyl)sulfanyl-5-fluoro-4-methoxyaniline
CID 63600005
2-(3,4-difluorophenyl)sulfanyl-4-ethoxy-5-fluoroaniline
CID 63593255
3-(2-amino-4-fluoro-5-propoxyphenyl)sulfanylpropane-1,2-diol
CID 79682694
1-N-(2-chlorophenyl)-4-fluoro-5-propoxybenzene-1,2-diamine
CID 63592569
5-fluoro-2-propan-2-yloxy-4-propoxyaniline
CID 63593869
2-(2-bromophenyl)sulfanyl-4-ethoxy-5-fluoroaniline
CID 55217243
4-ethoxy-2-ethylsulfanyl-5-fluoroaniline
CID 63592722
5-fluoro-2-(2-methylpropoxy)-4-propoxyaniline
CID 63593547
5-fluoro-2-(2-methylsulfanylphenoxy)-4-propoxyaniline
CID 63647609

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-5-fluoro-4-propoxyaniline?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-5-fluoro-4-propoxyaniline (CID 63594245) is 2-(2,5-dichlorophenyl)sulfanyl-5-fluoro-4-propoxyaniline.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfanyl-5-fluoro-4-propoxyaniline?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfanyl-5-fluoro-4-propoxyaniline is CCCOc1cc(Sc2cc(Cl)ccc2Cl)c(N)cc1F.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfanyl-5-fluoro-4-propoxyaniline?
The InChIKey is XJHBQAMTLZINSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FNOS/c1-2-5-20-13-8-15(12(19)7-11(13)18)21-14-6-9(16)3-4-10(14)17/h3-4,6-8H,2,5,19H2,1H3.
What are the key properties of 2-(2,5-dichlorophenyl)sulfanyl-5-fluoro-4-propoxyaniline?
2-(2,5-dichlorophenyl)sulfanyl-5-fluoro-4-propoxyaniline has a molecular weight of 346.25 g/mol, XLogP of 5.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfanyl-5-fluoro-4-propoxyaniline is sourced from PubChem (CID 63594245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).