2-(trifluoromethyl)-4-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methylamino]benzenesulfonamide

C18H16F6N2O2S — CID 133343755

IUPAC2-(trifluoromethyl)-4-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NCC2(c3cccc(C(F)(F)F)c3)CC2)cc1C(F)(F)F
InChIInChI=1S/C18H16F6N2O2S/c19-17(20,21)12-3-1-2-11(8-12)16(6-7-16)10-26-13-4-5-15(29(25,27)28)14(9-13)18(22,23)24/h1-5,8-9,26H,6-7,10H2,(H2,25,27,28)
InChIKeyHURZXTBVLFHKIW-UHFFFAOYSA-N
MW438.39 g/mol
LogP4.52
Rot. Bonds5

About 2-(trifluoromethyl)-4-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methylamino]benzenesulfonamide

2-(trifluoromethyl)-4-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methylamino]benzenesulfonamide (PubChem CID 133343755) has the molecular formula C18H16F6N2O2S and a molecular weight of 438.39 g/mol. Its IUPAC name is 2-(trifluoromethyl)-4-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methylamino]benzenesulfonamide.

Molecular Properties

Compound Name2-(trifluoromethyl)-4-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methylamino]benzenesulfonamide
PubChem CID133343755
Molecular FormulaC18H16F6N2O2S
Molecular Weight438.39 g/mol
Exact Mass438.08
IUPAC Name2-(trifluoromethyl)-4-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NCC2(c3cccc(C(F)(F)F)c3)CC2)cc1C(F)(F)F
InChIInChI=1S/C18H16F6N2O2S/c19-17(20,21)12-3-1-2-11(8-12)16(6-7-16)10-26-13-4-5-15(29(25,27)28)14(9-13)18(22,23)24/h1-5,8-9,26H,6-7,10H2,(H2,25,27,28)
InChIKeyHURZXTBVLFHKIW-UHFFFAOYSA-N
XLogP4.52
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.39
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-4-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methylamino]benzenesulfonamide?
The IUPAC name of 2-(trifluoromethyl)-4-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methylamino]benzenesulfonamide (CID 133343755) is 2-(trifluoromethyl)-4-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methylamino]benzenesulfonamide.
What is the SMILES notation for 2-(trifluoromethyl)-4-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methylamino]benzenesulfonamide?
The canonical SMILES for 2-(trifluoromethyl)-4-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methylamino]benzenesulfonamide is NS(=O)(=O)c1ccc(NCC2(c3cccc(C(F)(F)F)c3)CC2)cc1C(F)(F)F.
What is the InChIKey of 2-(trifluoromethyl)-4-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methylamino]benzenesulfonamide?
The InChIKey is HURZXTBVLFHKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F6N2O2S/c19-17(20,21)12-3-1-2-11(8-12)16(6-7-16)10-26-13-4-5-15(29(25,27)28)14(9-13)18(22,23)24/h1-5,8-9,26H,6-7,10H2,(H2,25,27,28).
What are the key properties of 2-(trifluoromethyl)-4-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methylamino]benzenesulfonamide?
2-(trifluoromethyl)-4-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methylamino]benzenesulfonamide has a molecular weight of 438.39 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-4-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methylamino]benzenesulfonamide is sourced from PubChem (CID 133343755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).