2-[1-(2-bromophenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide

C15H11BrClN5OS — CID 11510119

IUPAC2-[1-(2-bromophenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide
SMILESO=C(CSc1nnnn1-c1ccccc1Br)Nc1ccccc1Cl
InChIInChI=1S/C15H11BrClN5OS/c16-10-5-1-4-8-13(10)22-15(19-20-21-22)24-9-14(23)18-12-7-3-2-6-11(12)17/h1-8H,9H2,(H,18,23)
InChIKeyDTCZTFZAHLVABI-UHFFFAOYSA-N
MW424.71 g/mol
LogP3.81
Rot. Bonds5

About 2-[1-(2-bromophenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide

2-[1-(2-bromophenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide (PubChem CID 11510119) has the molecular formula C15H11BrClN5OS and a molecular weight of 424.71 g/mol. Its IUPAC name is 2-[1-(2-bromophenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-bromophenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide
PubChem CID11510119
Molecular FormulaC15H11BrClN5OS
Molecular Weight424.71 g/mol
Exact Mass422.96
IUPAC Name2-[1-(2-bromophenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide
SMILESO=C(CSc1nnnn1-c1ccccc1Br)Nc1ccccc1Cl
InChIInChI=1S/C15H11BrClN5OS/c16-10-5-1-4-8-13(10)22-15(19-20-21-22)24-9-14(23)18-12-7-3-2-6-11(12)17/h1-8H,9H2,(H,18,23)
InChIKeyDTCZTFZAHLVABI-UHFFFAOYSA-N
XLogP3.81
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.71
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-{[1-(2-chlorophenyl)-1H-tetrazol-5-yl]thio}acetamide
CID 2223242
N-(4-chlorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 738629
N-(4-bromo-2-chlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 980218
2-{[1-(3-chlorophenyl)-1H-tetraazol-5-yl]thio}acetamide
CID 833722
N-(2-bromophenyl)-2-[[2-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 56641236
N-(3-chloro-4-fluorophenyl)-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamide
CID 1187967
Cambridge id 7178302
CID 1303785
N-(2-bromo-4-chloro-phenyl)-2-[[2-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 56641366
N-(4-chlorophenyl)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 1026896
N-(2,4-dichlorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 1330867
N-(2-chlorophenyl)-2-[1-(4-dimethylaminophenyl)tetrazol-5-yl]sulfanyl-acetamide
CID 2810262
N-(2-chlorophenyl)-2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanyl-acetamide
CID 11516442

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-bromophenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-[1-(2-bromophenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide (CID 11510119) is 2-[1-(2-bromophenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[1-(2-bromophenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-[1-(2-bromophenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide is O=C(CSc1nnnn1-c1ccccc1Br)Nc1ccccc1Cl.
What is the InChIKey of 2-[1-(2-bromophenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide?
The InChIKey is DTCZTFZAHLVABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClN5OS/c16-10-5-1-4-8-13(10)22-15(19-20-21-22)24-9-14(23)18-12-7-3-2-6-11(12)17/h1-8H,9H2,(H,18,23).
What are the key properties of 2-[1-(2-bromophenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide?
2-[1-(2-bromophenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide has a molecular weight of 424.71 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-bromophenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 11510119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).