3,5-dichloro-N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]aniline

C15H10Cl3NOS — CID 43760360

IUPAC3,5-dichloro-N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]aniline
SMILESClc1cc(Cl)cc(NC(c2ccco2)c2ccc(Cl)s2)c1
InChIInChI=1S/C15H10Cl3NOS/c16-9-6-10(17)8-11(7-9)19-15(12-2-1-5-20-12)13-3-4-14(18)21-13/h1-8,15,19H
InChIKeyJWNZQDAIOHBCHI-UHFFFAOYSA-N
MW358.68 g/mol
LogP6.50
Rot. Bonds4

About 3,5-dichloro-N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]aniline

3,5-dichloro-N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]aniline (PubChem CID 43760360) has the molecular formula C15H10Cl3NOS and a molecular weight of 358.68 g/mol. Its IUPAC name is 3,5-dichloro-N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]aniline.

Molecular Properties

Compound Name3,5-dichloro-N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]aniline
PubChem CID43760360
Molecular FormulaC15H10Cl3NOS
Molecular Weight358.68 g/mol
Exact Mass356.95
IUPAC Name3,5-dichloro-N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]aniline
SMILESClc1cc(Cl)cc(NC(c2ccco2)c2ccc(Cl)s2)c1
InChIInChI=1S/C15H10Cl3NOS/c16-9-6-10(17)8-11(7-9)19-15(12-2-1-5-20-12)13-3-4-14(18)21-13/h1-8,15,19H
InChIKeyJWNZQDAIOHBCHI-UHFFFAOYSA-N
XLogP6.50
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.68
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]aniline?
The IUPAC name of 3,5-dichloro-N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]aniline (CID 43760360) is 3,5-dichloro-N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]aniline.
What is the SMILES notation for 3,5-dichloro-N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]aniline?
The canonical SMILES for 3,5-dichloro-N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]aniline is Clc1cc(Cl)cc(NC(c2ccco2)c2ccc(Cl)s2)c1.
What is the InChIKey of 3,5-dichloro-N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]aniline?
The InChIKey is JWNZQDAIOHBCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3NOS/c16-9-6-10(17)8-11(7-9)19-15(12-2-1-5-20-12)13-3-4-14(18)21-13/h1-8,15,19H.
What are the key properties of 3,5-dichloro-N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]aniline?
3,5-dichloro-N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]aniline has a molecular weight of 358.68 g/mol, XLogP of 6.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]aniline is sourced from PubChem (CID 43760360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).