2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-chloro-4-methylsulfonylphenyl)acetamide

C17H15Cl2N5O3S2 — CID 5275191

IUPAC2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-chloro-4-methylsulfonylphenyl)acetamide
SMILESCc1ccc(-n2nnnc2SCC(=O)Nc2ccc(S(C)(=O)=O)cc2Cl)c(Cl)c1
InChIInChI=1S/C17H15Cl2N5O3S2/c1-10-3-6-15(13(19)7-10)24-17(21-22-23-24)28-9-16(25)20-14-5-4-11(8-12(14)18)29(2,26)27/h3-8H,9H2,1-2H3,(H,20,25)
InChIKeyHPALXJHYYGAVDC-UHFFFAOYSA-N
MW472.38 g/mol
LogP3.41
Rot. Bonds6

About 2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-chloro-4-methylsulfonylphenyl)acetamide

2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-chloro-4-methylsulfonylphenyl)acetamide (PubChem CID 5275191) has the molecular formula C17H15Cl2N5O3S2 and a molecular weight of 472.38 g/mol. Its IUPAC name is 2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-chloro-4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-chloro-4-methylsulfonylphenyl)acetamide
PubChem CID5275191
Molecular FormulaC17H15Cl2N5O3S2
Molecular Weight472.38 g/mol
Exact Mass471.00
IUPAC Name2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-chloro-4-methylsulfonylphenyl)acetamide
SMILESCc1ccc(-n2nnnc2SCC(=O)Nc2ccc(S(C)(=O)=O)cc2Cl)c(Cl)c1
InChIInChI=1S/C17H15Cl2N5O3S2/c1-10-3-6-15(13(19)7-10)24-17(21-22-23-24)28-9-16(25)20-14-5-4-11(8-12(14)18)29(2,26)27/h3-8H,9H2,1-2H3,(H,20,25)
InChIKeyHPALXJHYYGAVDC-UHFFFAOYSA-N
XLogP3.41
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-chloro-4-methylsulfonylphenyl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-chloro-4-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-chloro-4-methylsulfonylphenyl)acetamide (CID 5275191) is 2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-chloro-4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-chloro-4-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-chloro-4-methylsulfonylphenyl)acetamide is Cc1ccc(-n2nnnc2SCC(=O)Nc2ccc(S(C)(=O)=O)cc2Cl)c(Cl)c1.
What is the InChIKey of 2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-chloro-4-methylsulfonylphenyl)acetamide?
The InChIKey is HPALXJHYYGAVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N5O3S2/c1-10-3-6-15(13(19)7-10)24-17(21-22-23-24)28-9-16(25)20-14-5-4-11(8-12(14)18)29(2,26)27/h3-8H,9H2,1-2H3,(H,20,25).
What are the key properties of 2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-chloro-4-methylsulfonylphenyl)acetamide?
2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-chloro-4-methylsulfonylphenyl)acetamide has a molecular weight of 472.38 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-chloro-4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 5275191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).