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

C15H11Cl2N5OS — CID 1026896

IUPACN-(4-chlorophenyl)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1cccc(Cl)c1)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H11Cl2N5OS/c16-10-4-6-12(7-5-10)18-14(23)9-24-15-19-20-21-22(15)13-3-1-2-11(17)8-13/h1-8H,9H2,(H,18,23)
InChIKeyPURYWDUSPLXQTF-UHFFFAOYSA-N
MW380.26 g/mol
LogP3.70
Rot. Bonds5

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

N-(4-chlorophenyl)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 1026896) has the molecular formula C15H11Cl2N5OS and a molecular weight of 380.26 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID1026896
Molecular FormulaC15H11Cl2N5OS
Molecular Weight380.26 g/mol
Exact Mass379.01
IUPAC NameN-(4-chlorophenyl)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1cccc(Cl)c1)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H11Cl2N5OS/c16-10-4-6-12(7-5-10)18-14(23)9-24-15-19-20-21-22(15)13-3-1-2-11(17)8-13/h1-8H,9H2,(H,18,23)
InChIKeyPURYWDUSPLXQTF-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-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 702136
2-[1-(2-chloro-4-methyl-phenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide
CID 5275183
2-{[1-(2-chlorophenyl)-1H-tetrazol-5-yl]thio}acetamide
CID 2223242
N-(4-chlorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 738629
1-(3-chlorophenyl)-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]pyrrolidine-2,5-dione
CID 2950397
N-(2-chloro-4-sulfamoyl-phenyl)-2-[1-(2,5-dichlorophenyl)tetrazol-5-yl]sulfanyl-acetamide
CID 11720172
2-[(5-amino-4-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-(3-chloro-4-fluorophenyl)acetamide
CID 1292029
4-[2-[1-(4-Chlorophenyl)tetrazol-5-yl]sulfanylacetyl]-1,3-dihydroquinoxalin-2-one
CID 2610084
N-(4-chlorophenyl)-3-oxo-4-(1-phenyltetrazol-5-yl)sulfanylbutanamide
CID 2997817
2-((1-(2-chlorophenyl)-1H-tetrazol-5-yl)thio)-N-(4-(4-methylpiperazin-1-yl)phenyl)acetamide
CID 4870439
2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide
CID 5275035
2-[1-(2,5-dichlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide
CID 15956705

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylacetamide (CID 1026896) is N-(4-chlorophenyl)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylacetamide is O=C(CSc1nnnn1-c1cccc(Cl)c1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is PURYWDUSPLXQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N5OS/c16-10-4-6-12(7-5-10)18-14(23)9-24-15-19-20-21-22(15)13-3-1-2-11(17)8-13/h1-8H,9H2,(H,18,23).
What are the key properties of N-(4-chlorophenyl)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylacetamide?
N-(4-chlorophenyl)-2-[1-(3-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-(4-chlorophenyl)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 1026896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).