N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide

C17H13ClF3N5O2S — CID 16536156

IUPACN-[2-chloro-6-(trifluoromethyl)phenyl]-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCOc1ccccc1-n1nnnc1SCC(=O)Nc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C17H13ClF3N5O2S/c1-28-13-8-3-2-7-12(13)26-16(23-24-25-26)29-9-14(27)22-15-10(17(19,20)21)5-4-6-11(15)18/h2-8H,9H2,1H3,(H,22,27)
InChIKeyBRWSBGCDXZTURJ-UHFFFAOYSA-N
MW443.84 g/mol
LogP4.07
Rot. Bonds6

About N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide

N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 16536156) has the molecular formula C17H13ClF3N5O2S and a molecular weight of 443.84 g/mol. Its IUPAC name is N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[2-chloro-6-(trifluoromethyl)phenyl]-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID16536156
Molecular FormulaC17H13ClF3N5O2S
Molecular Weight443.84 g/mol
Exact Mass443.04
IUPAC NameN-[2-chloro-6-(trifluoromethyl)phenyl]-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCOc1ccccc1-n1nnnc1SCC(=O)Nc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C17H13ClF3N5O2S/c1-28-13-8-3-2-7-12(13)26-16(23-24-25-26)29-9-14(27)22-15-10(17(19,20)21)5-4-6-11(15)18/h2-8H,9H2,1H3,(H,22,27)
InChIKeyBRWSBGCDXZTURJ-UHFFFAOYSA-N
XLogP4.07
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.84
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[1-(2-methoxyphenyl)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

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide (CID 16536156) is N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide is COc1ccccc1-n1nnnc1SCC(=O)Nc1c(Cl)cccc1C(F)(F)F.
What is the InChIKey of N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is BRWSBGCDXZTURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3N5O2S/c1-28-13-8-3-2-7-12(13)26-16(23-24-25-26)29-9-14(27)22-15-10(17(19,20)21)5-4-6-11(15)18/h2-8H,9H2,1H3,(H,22,27).
What are the key properties of N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 443.84 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 16536156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).