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

C15H10Cl3N5OS — CID 11567834

IUPACN-(2-chlorophenyl)-2-[1-(2,3-dichlorophenyl)tetrazol-5-yl]sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1cccc(Cl)c1Cl)Nc1ccccc1Cl
InChIInChI=1S/C15H10Cl3N5OS/c16-9-4-1-2-6-11(9)19-13(24)8-25-15-20-21-22-23(15)12-7-3-5-10(17)14(12)18/h1-7H,8H2,(H,19,24)
InChIKeyKTIUZUMKWJHZHI-UHFFFAOYSA-N
MW414.71 g/mol
LogP4.35
Rot. Bonds5

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

N-(2-chlorophenyl)-2-[1-(2,3-dichlorophenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 11567834) has the molecular formula C15H10Cl3N5OS and a molecular weight of 414.71 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[1-(2,3-dichlorophenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[1-(2,3-dichlorophenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID11567834
Molecular FormulaC15H10Cl3N5OS
Molecular Weight414.71 g/mol
Exact Mass412.97
IUPAC NameN-(2-chlorophenyl)-2-[1-(2,3-dichlorophenyl)tetrazol-5-yl]sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1cccc(Cl)c1Cl)Nc1ccccc1Cl
InChIInChI=1S/C15H10Cl3N5OS/c16-9-4-1-2-6-11(9)19-13(24)8-25-15-20-21-22-23(15)12-7-3-5-10(17)14(12)18/h1-7H,8H2,(H,19,24)
InChIKeyKTIUZUMKWJHZHI-UHFFFAOYSA-N
XLogP4.35
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.71
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[1-(2,3-dichlorophenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[1-(2,3-dichlorophenyl)tetrazol-5-yl]sulfanylacetamide (CID 11567834) is N-(2-chlorophenyl)-2-[1-(2,3-dichlorophenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[1-(2,3-dichlorophenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[1-(2,3-dichlorophenyl)tetrazol-5-yl]sulfanylacetamide is O=C(CSc1nnnn1-c1cccc(Cl)c1Cl)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-[1-(2,3-dichlorophenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is KTIUZUMKWJHZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3N5OS/c16-9-4-1-2-6-11(9)19-13(24)8-25-15-20-21-22-23(15)12-7-3-5-10(17)14(12)18/h1-7H,8H2,(H,19,24).
What are the key properties of N-(2-chlorophenyl)-2-[1-(2,3-dichlorophenyl)tetrazol-5-yl]sulfanylacetamide?
N-(2-chlorophenyl)-2-[1-(2,3-dichlorophenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 414.71 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[1-(2,3-dichlorophenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 11567834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).