N-(3,4-dichlorophenyl)-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide

C15H10Cl2FN5OS — CID 2238769

IUPACN-(3,4-dichlorophenyl)-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccc(F)cc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10Cl2FN5OS/c16-12-6-3-10(7-13(12)17)19-14(24)8-25-15-20-21-22-23(15)11-4-1-9(18)2-5-11/h1-7H,8H2,(H,19,24)
InChIKeyLOYHQADPJOIFRH-UHFFFAOYSA-N
MW398.25 g/mol
LogP3.84
Rot. Bonds5

About N-(3,4-dichlorophenyl)-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide

N-(3,4-dichlorophenyl)-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 2238769) has the molecular formula C15H10Cl2FN5OS and a molecular weight of 398.25 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID2238769
Molecular FormulaC15H10Cl2FN5OS
Molecular Weight398.25 g/mol
Exact Mass397.00
IUPAC NameN-(3,4-dichlorophenyl)-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccc(F)cc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10Cl2FN5OS/c16-12-6-3-10(7-13(12)17)19-14(24)8-25-15-20-21-22-23(15)11-4-1-9(18)2-5-11/h1-7H,8H2,(H,19,24)
InChIKeyLOYHQADPJOIFRH-UHFFFAOYSA-N
XLogP3.84
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.25
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide (CID 2238769) is N-(3,4-dichlorophenyl)-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide is O=C(CSc1nnnn1-c1ccc(F)cc1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is LOYHQADPJOIFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2FN5OS/c16-12-6-3-10(7-13(12)17)19-14(24)8-25-15-20-21-22-23(15)11-4-1-9(18)2-5-11/h1-7H,8H2,(H,19,24).
What are the key properties of N-(3,4-dichlorophenyl)-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide?
N-(3,4-dichlorophenyl)-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 398.25 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 2238769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).