N-(3-chloro-4-fluorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide

C15H10Cl2FN5OS — CID 4575267

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

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

N-(3-chloro-4-fluorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 4575267) has the molecular formula C15H10Cl2FN5OS and a molecular weight of 398.25 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID4575267
Molecular FormulaC15H10Cl2FN5OS
Molecular Weight398.25 g/mol
Exact Mass397.00
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccc(Cl)cc1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H10Cl2FN5OS/c16-9-1-4-11(5-2-9)23-15(20-21-22-23)25-8-14(24)19-10-3-6-13(18)12(17)7-10/h1-7H,8H2,(H,19,24)
InChIKeyIXIPWXIKHMUJGH-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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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2596083
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 3971930
N-(3-chlorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 1328619
N-(4-chlorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4814769
N-(4-acetamidophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 1405245
N-(3-chloro-4-methylphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2595811
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2,4-dichlorophenyl)acetamide
CID 1348349
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2,6-difluorophenyl)acetamide
CID 2610379
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 32787695
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 4265931
N-(4-bromo-2-fluorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 2610371
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(3-sulfamoylphenyl)acetamide
CID 27159868

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide (CID 4575267) is N-(3-chloro-4-fluorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide is O=C(CSc1nnnn1-c1ccc(Cl)cc1)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is IXIPWXIKHMUJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2FN5OS/c16-9-1-4-11(5-2-9)23-15(20-21-22-23)25-8-14(24)19-10-3-6-13(18)12(17)7-10/h1-7H,8H2,(H,19,24).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide?
N-(3-chloro-4-fluorophenyl)-2-[1-(4-chlorophenyl)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-chloro-4-fluorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 4575267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).