3-(3-fluoroazetidin-1-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]indole-5-sulfonamide

C19H17F4N3O2S — CID 171514593

IUPAC3-(3-fluoroazetidin-1-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]indole-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)c(N1CC(F)C1)cn2-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H17F4N3O2S/c1-24-29(27,28)15-6-7-17-16(8-15)18(25-9-13(20)10-25)11-26(17)14-4-2-12(3-5-14)19(21,22)23/h2-8,11,13,24H,9-10H2,1H3
InChIKeyYOVHHIUBUGQKLA-UHFFFAOYSA-N
MW427.42 g/mol
LogP3.72
Rot. Bonds4

About 3-(3-fluoroazetidin-1-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]indole-5-sulfonamide

3-(3-fluoroazetidin-1-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]indole-5-sulfonamide (PubChem CID 171514593) has the molecular formula C19H17F4N3O2S and a molecular weight of 427.42 g/mol. Its IUPAC name is 3-(3-fluoroazetidin-1-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]indole-5-sulfonamide.

Molecular Properties

Compound Name3-(3-fluoroazetidin-1-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]indole-5-sulfonamide
PubChem CID171514593
Molecular FormulaC19H17F4N3O2S
Molecular Weight427.42 g/mol
Exact Mass427.10
IUPAC Name3-(3-fluoroazetidin-1-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]indole-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)c(N1CC(F)C1)cn2-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H17F4N3O2S/c1-24-29(27,28)15-6-7-17-16(8-15)18(25-9-13(20)10-25)11-26(17)14-4-2-12(3-5-14)19(21,22)23/h2-8,11,13,24H,9-10H2,1H3
InChIKeyYOVHHIUBUGQKLA-UHFFFAOYSA-N
XLogP3.72
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoroazetidin-1-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]indole-5-sulfonamide?
The IUPAC name of 3-(3-fluoroazetidin-1-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]indole-5-sulfonamide (CID 171514593) is 3-(3-fluoroazetidin-1-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]indole-5-sulfonamide.
What is the SMILES notation for 3-(3-fluoroazetidin-1-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]indole-5-sulfonamide?
The canonical SMILES for 3-(3-fluoroazetidin-1-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]indole-5-sulfonamide is CNS(=O)(=O)c1ccc2c(c1)c(N1CC(F)C1)cn2-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-(3-fluoroazetidin-1-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]indole-5-sulfonamide?
The InChIKey is YOVHHIUBUGQKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F4N3O2S/c1-24-29(27,28)15-6-7-17-16(8-15)18(25-9-13(20)10-25)11-26(17)14-4-2-12(3-5-14)19(21,22)23/h2-8,11,13,24H,9-10H2,1H3.
What are the key properties of 3-(3-fluoroazetidin-1-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]indole-5-sulfonamide?
3-(3-fluoroazetidin-1-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]indole-5-sulfonamide has a molecular weight of 427.42 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoroazetidin-1-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]indole-5-sulfonamide is sourced from PubChem (CID 171514593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).