2-[1-[2-chloro-3-methyl-5-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanyl-N-(2-chloro-4-sulfamoylphenyl)acetamide

C17H13Cl2F3N6O3S2 — CID 5275214

IUPAC2-[1-[2-chloro-3-methyl-5-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanyl-N-(2-chloro-4-sulfamoylphenyl)acetamide
SMILESCc1cc(C(F)(F)F)cc(-n2nnnc2SCC(=O)Nc2ccc(S(N)(=O)=O)cc2Cl)c1Cl
InChIInChI=1S/C17H13Cl2F3N6O3S2/c1-8-4-9(17(20,21)22)5-13(15(8)19)28-16(25-26-27-28)32-7-14(29)24-12-3-2-10(6-11(12)18)33(23,30)31/h2-6H,7H2,1H3,(H,24,29)(H2,23,30,31)
InChIKeyJAXLGKGRYCYPIM-UHFFFAOYSA-N
MW541.36 g/mol
LogP3.67
Rot. Bonds6

About 2-[1-[2-chloro-3-methyl-5-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanyl-N-(2-chloro-4-sulfamoylphenyl)acetamide

2-[1-[2-chloro-3-methyl-5-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanyl-N-(2-chloro-4-sulfamoylphenyl)acetamide (PubChem CID 5275214) has the molecular formula C17H13Cl2F3N6O3S2 and a molecular weight of 541.36 g/mol. Its IUPAC name is 2-[1-[2-chloro-3-methyl-5-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanyl-N-(2-chloro-4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-[2-chloro-3-methyl-5-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanyl-N-(2-chloro-4-sulfamoylphenyl)acetamide
PubChem CID5275214
Molecular FormulaC17H13Cl2F3N6O3S2
Molecular Weight541.36 g/mol
Exact Mass539.98
IUPAC Name2-[1-[2-chloro-3-methyl-5-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanyl-N-(2-chloro-4-sulfamoylphenyl)acetamide
SMILESCc1cc(C(F)(F)F)cc(-n2nnnc2SCC(=O)Nc2ccc(S(N)(=O)=O)cc2Cl)c1Cl
InChIInChI=1S/C17H13Cl2F3N6O3S2/c1-8-4-9(17(20,21)22)5-13(15(8)19)28-16(25-26-27-28)32-7-14(29)24-12-3-2-10(6-11(12)18)33(23,30)31/h2-6H,7H2,1H3,(H,24,29)(H2,23,30,31)
InChIKeyJAXLGKGRYCYPIM-UHFFFAOYSA-N
XLogP3.67
TPSA132.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.36
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[1-[2-chloro-3-methyl-5-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanyl-N-(2-chloro-4-sulfamoylphenyl)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-3-methyl-5-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanyl-N-(2-chloro-4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[1-[2-chloro-3-methyl-5-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanyl-N-(2-chloro-4-sulfamoylphenyl)acetamide (CID 5275214) is 2-[1-[2-chloro-3-methyl-5-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanyl-N-(2-chloro-4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[1-[2-chloro-3-methyl-5-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanyl-N-(2-chloro-4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[1-[2-chloro-3-methyl-5-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanyl-N-(2-chloro-4-sulfamoylphenyl)acetamide is Cc1cc(C(F)(F)F)cc(-n2nnnc2SCC(=O)Nc2ccc(S(N)(=O)=O)cc2Cl)c1Cl.
What is the InChIKey of 2-[1-[2-chloro-3-methyl-5-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanyl-N-(2-chloro-4-sulfamoylphenyl)acetamide?
The InChIKey is JAXLGKGRYCYPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2F3N6O3S2/c1-8-4-9(17(20,21)22)5-13(15(8)19)28-16(25-26-27-28)32-7-14(29)24-12-3-2-10(6-11(12)18)33(23,30)31/h2-6H,7H2,1H3,(H,24,29)(H2,23,30,31).
What are the key properties of 2-[1-[2-chloro-3-methyl-5-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanyl-N-(2-chloro-4-sulfamoylphenyl)acetamide?
2-[1-[2-chloro-3-methyl-5-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanyl-N-(2-chloro-4-sulfamoylphenyl)acetamide has a molecular weight of 541.36 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-chloro-3-methyl-5-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanyl-N-(2-chloro-4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 5275214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).