[5-(2,5-dichlorophenyl)furan-2-yl]methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium

C15H16Cl2N5OS+ — CID 8622356

IUPAC[5-(2,5-dichlorophenyl)furan-2-yl]methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium
SMILESCn1nnnc1SCC[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C15H15Cl2N5OS/c1-22-15(19-20-21-22)24-7-6-18-9-11-3-5-14(23-11)12-8-10(16)2-4-13(12)17/h2-5,8,18H,6-7,9H2,1H3/p+1
InChIKeyLDEGBJREHCQOMO-UHFFFAOYSA-O
MW385.30 g/mol
LogP2.63
Rot. Bonds7

About [5-(2,5-dichlorophenyl)furan-2-yl]methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium

[5-(2,5-dichlorophenyl)furan-2-yl]methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium (PubChem CID 8622356) has the molecular formula C15H16Cl2N5OS+ and a molecular weight of 385.30 g/mol. Its IUPAC name is [5-(2,5-dichlorophenyl)furan-2-yl]methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium.

Molecular Properties

Compound Name[5-(2,5-dichlorophenyl)furan-2-yl]methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium
PubChem CID8622356
Molecular FormulaC15H16Cl2N5OS+
Molecular Weight385.30 g/mol
Exact Mass384.04
IUPAC Name[5-(2,5-dichlorophenyl)furan-2-yl]methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium
SMILESCn1nnnc1SCC[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C15H15Cl2N5OS/c1-22-15(19-20-21-22)24-7-6-18-9-11-3-5-14(23-11)12-8-10(16)2-4-13(12)17/h2-5,8,18H,6-7,9H2,1H3/p+1
InChIKeyLDEGBJREHCQOMO-UHFFFAOYSA-O
XLogP2.63
TPSA73.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.30
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [5-(2,5-dichlorophenyl)furan-2-yl]methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium with MolForge

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Related Compounds

[5-(2-fluorophenyl)furan-2-yl]methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium
CID 7248404
[5-(2-fluorophenyl)furan-2-yl]methyl-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]azanium
CID 7447687
[5-(2,5-dichlorophenyl)furan-2-yl]methyl-(3-ethoxypropyl)azanium
CID 8622342
2-(1-methyltetrazol-5-yl)sulfanylethyl-(pyridin-4-ylmethyl)azanium
CID 7005222
(2,6-dichlorophenyl)methyl-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]azanium
CID 8639757
2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium
CID 7450464
2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylazaniumyl]ethyl-dimethylazanium
CID 7425234
[5-(2,5-dichlorophenyl)furan-2-yl]methyl-[(2S)-1-hydroxybutan-2-yl]azanium
CID 7425147
(4-ethoxyphenyl)methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium
CID 7449437
(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium
CID 7248407
(5-bromo-2-methoxyphenyl)methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium chloride
CID 44664242
[5-(2,5-dichlorophenyl)furan-2-yl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium
CID 8622324

Frequently Asked Questions

What is the IUPAC name of [5-(2,5-dichlorophenyl)furan-2-yl]methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium?
The IUPAC name of [5-(2,5-dichlorophenyl)furan-2-yl]methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium (CID 8622356) is [5-(2,5-dichlorophenyl)furan-2-yl]methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium.
What is the SMILES notation for [5-(2,5-dichlorophenyl)furan-2-yl]methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium?
The canonical SMILES for [5-(2,5-dichlorophenyl)furan-2-yl]methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium is Cn1nnnc1SCC[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1.
What is the InChIKey of [5-(2,5-dichlorophenyl)furan-2-yl]methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium?
The InChIKey is LDEGBJREHCQOMO-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H15Cl2N5OS/c1-22-15(19-20-21-22)24-7-6-18-9-11-3-5-14(23-11)12-8-10(16)2-4-13(12)17/h2-5,8,18H,6-7,9H2,1H3/p+1.
What are the key properties of [5-(2,5-dichlorophenyl)furan-2-yl]methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium?
[5-(2,5-dichlorophenyl)furan-2-yl]methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium has a molecular weight of 385.30 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,5-dichlorophenyl)furan-2-yl]methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium is sourced from PubChem (CID 8622356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).