2-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]-1,2-thiazolidine 1,1-dioxide

C18H20F3N3O2S — CID 24953726

IUPAC2-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1Cc1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1
InChIInChI=1S/C18H20F3N3O2S/c19-18(20,21)17-15-4-1-2-5-16(15)24(22-17)14-8-6-13(7-9-14)12-23-10-3-11-27(23,25)26/h6-9H,1-5,10-12H2
InChIKeyAMFXGPAZFUDXQW-UHFFFAOYSA-N
MW399.44 g/mol
LogP3.31
Rot. Bonds3

About 2-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]-1,2-thiazolidine 1,1-dioxide

2-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 24953726) has the molecular formula C18H20F3N3O2S and a molecular weight of 399.44 g/mol. Its IUPAC name is 2-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]-1,2-thiazolidine 1,1-dioxide
PubChem CID24953726
Molecular FormulaC18H20F3N3O2S
Molecular Weight399.44 g/mol
Exact Mass399.12
IUPAC Name2-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1Cc1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1
InChIInChI=1S/C18H20F3N3O2S/c19-18(20,21)17-15-4-1-2-5-16(15)24(22-17)14-8-6-13(7-9-14)12-23-10-3-11-27(23,25)26/h6-9H,1-5,10-12H2
InChIKeyAMFXGPAZFUDXQW-UHFFFAOYSA-N
XLogP3.31
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]-1,2-thiazolidine 1,1-dioxide (CID 24953726) is 2-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]-1,2-thiazolidine 1,1-dioxide is O=S1(=O)CCCN1Cc1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1.
What is the InChIKey of 2-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is AMFXGPAZFUDXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O2S/c19-18(20,21)17-15-4-1-2-5-16(15)24(22-17)14-8-6-13(7-9-14)12-23-10-3-11-27(23,25)26/h6-9H,1-5,10-12H2.
What are the key properties of 2-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]-1,2-thiazolidine 1,1-dioxide?
2-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 399.44 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 24953726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).