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

C15H11BrClN5OS — CID 1317780

IUPACN-(4-bromophenyl)-2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccccc1Cl)Nc1ccc(Br)cc1
InChIInChI=1S/C15H11BrClN5OS/c16-10-5-7-11(8-6-10)18-14(23)9-24-15-19-20-21-22(15)13-4-2-1-3-12(13)17/h1-8H,9H2,(H,18,23)
InChIKeyIHRJSFVZHOLTFH-UHFFFAOYSA-N
MW424.71 g/mol
LogP3.81
Rot. Bonds5

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

N-(4-bromophenyl)-2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 1317780) has the molecular formula C15H11BrClN5OS and a molecular weight of 424.71 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID1317780
Molecular FormulaC15H11BrClN5OS
Molecular Weight424.71 g/mol
Exact Mass422.96
IUPAC NameN-(4-bromophenyl)-2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccccc1Cl)Nc1ccc(Br)cc1
InChIInChI=1S/C15H11BrClN5OS/c16-10-5-7-11(8-6-10)18-14(23)9-24-15-19-20-21-22(15)13-4-2-1-3-12(13)17/h1-8H,9H2,(H,18,23)
InChIKeyIHRJSFVZHOLTFH-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

Analyze N-(4-bromophenyl)-2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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 N-(4-bromophenyl)-2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(4-bromophenyl)-2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanylacetamide (CID 1317780) is N-(4-bromophenyl)-2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanylacetamide is O=C(CSc1nnnn1-c1ccccc1Cl)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is IHRJSFVZHOLTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClN5OS/c16-10-5-7-11(8-6-10)18-14(23)9-24-15-19-20-21-22(15)13-4-2-1-3-12(13)17/h1-8H,9H2,(H,18,23).
What are the key properties of N-(4-bromophenyl)-2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanylacetamide?
N-(4-bromophenyl)-2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanylacetamide 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 N-(4-bromophenyl)-2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 1317780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).