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

C15H11Cl2N5OS — CID 1328619

IUPACN-(3-chlorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccc(Cl)cc1)Nc1cccc(Cl)c1
InChIInChI=1S/C15H11Cl2N5OS/c16-10-4-6-13(7-5-10)22-15(19-20-21-22)24-9-14(23)18-12-3-1-2-11(17)8-12/h1-8H,9H2,(H,18,23)
InChIKeyAEFQOZDWBJZVJT-UHFFFAOYSA-N
MW380.26 g/mol
LogP3.70
Rot. Bonds5

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

N-(3-chlorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 1328619) has the molecular formula C15H11Cl2N5OS and a molecular weight of 380.26 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID1328619
Molecular FormulaC15H11Cl2N5OS
Molecular Weight380.26 g/mol
Exact Mass379.01
IUPAC NameN-(3-chlorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccc(Cl)cc1)Nc1cccc(Cl)c1
InChIInChI=1S/C15H11Cl2N5OS/c16-10-4-6-13(7-5-10)22-15(19-20-21-22)24-9-14(23)18-12-3-1-2-11(17)8-12/h1-8H,9H2,(H,18,23)
InChIKeyAEFQOZDWBJZVJT-UHFFFAOYSA-N
XLogP3.70
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.26
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chlorophenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 16648706
N-(3-chlorophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 7562846
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(3-sulfamoylphenyl)acetamide
CID 27159868
N-(3-chlorophenyl)-3-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 52546871
N-(3-chloro-4-fluorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 4575267
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
2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1026931
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
N-(5-chloro-2-hydroxyphenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 3663323
N-(3,5-dichlorophenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2616039

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide (CID 1328619) is N-(3-chlorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide is O=C(CSc1nnnn1-c1ccc(Cl)cc1)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is AEFQOZDWBJZVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N5OS/c16-10-4-6-13(7-5-10)22-15(19-20-21-22)24-9-14(23)18-12-3-1-2-11(17)8-12/h1-8H,9H2,(H,18,23).
What are the key properties of N-(3-chlorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide?
N-(3-chlorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 380.26 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 1328619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).