8-chloro-N-[(4-methylsulfanylphenyl)methyl]dibenzofuran-2-amine

C20H16ClNOS — CID 142075902

IUPAC8-chloro-N-[(4-methylsulfanylphenyl)methyl]dibenzofuran-2-amine
SMILESCSc1ccc(CNc2ccc3oc4ccc(Cl)cc4c3c2)cc1
InChIInChI=1S/C20H16ClNOS/c1-24-16-6-2-13(3-7-16)12-22-15-5-9-20-18(11-15)17-10-14(21)4-8-19(17)23-20/h2-11,22H,12H2,1H3
InChIKeyLXSUIVBIQNRHAF-UHFFFAOYSA-N
MW353.87 g/mol
LogP6.57
Rot. Bonds4

About 8-chloro-N-[(4-methylsulfanylphenyl)methyl]dibenzofuran-2-amine

8-chloro-N-[(4-methylsulfanylphenyl)methyl]dibenzofuran-2-amine (PubChem CID 142075902) has the molecular formula C20H16ClNOS and a molecular weight of 353.87 g/mol. Its IUPAC name is 8-chloro-N-[(4-methylsulfanylphenyl)methyl]dibenzofuran-2-amine.

Molecular Properties

Compound Name8-chloro-N-[(4-methylsulfanylphenyl)methyl]dibenzofuran-2-amine
PubChem CID142075902
Molecular FormulaC20H16ClNOS
Molecular Weight353.87 g/mol
Exact Mass353.06
IUPAC Name8-chloro-N-[(4-methylsulfanylphenyl)methyl]dibenzofuran-2-amine
SMILESCSc1ccc(CNc2ccc3oc4ccc(Cl)cc4c3c2)cc1
InChIInChI=1S/C20H16ClNOS/c1-24-16-6-2-13(3-7-16)12-22-15-5-9-20-18(11-15)17-10-14(21)4-8-19(17)23-20/h2-11,22H,12H2,1H3
InChIKeyLXSUIVBIQNRHAF-UHFFFAOYSA-N
XLogP6.57
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.87
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-[(4-methylsulfanylphenyl)methyl]dibenzofuran-2-amine?
The IUPAC name of 8-chloro-N-[(4-methylsulfanylphenyl)methyl]dibenzofuran-2-amine (CID 142075902) is 8-chloro-N-[(4-methylsulfanylphenyl)methyl]dibenzofuran-2-amine.
What is the SMILES notation for 8-chloro-N-[(4-methylsulfanylphenyl)methyl]dibenzofuran-2-amine?
The canonical SMILES for 8-chloro-N-[(4-methylsulfanylphenyl)methyl]dibenzofuran-2-amine is CSc1ccc(CNc2ccc3oc4ccc(Cl)cc4c3c2)cc1.
What is the InChIKey of 8-chloro-N-[(4-methylsulfanylphenyl)methyl]dibenzofuran-2-amine?
The InChIKey is LXSUIVBIQNRHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNOS/c1-24-16-6-2-13(3-7-16)12-22-15-5-9-20-18(11-15)17-10-14(21)4-8-19(17)23-20/h2-11,22H,12H2,1H3.
What are the key properties of 8-chloro-N-[(4-methylsulfanylphenyl)methyl]dibenzofuran-2-amine?
8-chloro-N-[(4-methylsulfanylphenyl)methyl]dibenzofuran-2-amine has a molecular weight of 353.87 g/mol, XLogP of 6.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-[(4-methylsulfanylphenyl)methyl]dibenzofuran-2-amine is sourced from PubChem (CID 142075902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).