N-[3-[5-(2-aminocyclopropyl)-2-pyridinyl]-5-(trifluoromethyl)phenyl]ethanesulfonamide

C17H18F3N3O2S — CID 66714168

IUPACN-[3-[5-(2-aminocyclopropyl)-2-pyridinyl]-5-(trifluoromethyl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(-c2ccc(C3CC3N)cn2)cc(C(F)(F)F)c1
InChIInChI=1S/C17H18F3N3O2S/c1-2-26(24,25)23-13-6-11(5-12(7-13)17(18,19)20)16-4-3-10(9-22-16)14-8-15(14)21/h3-7,9,14-15,23H,2,8,21H2,1H3
InChIKeyGZWCEYKAMWVCAM-UHFFFAOYSA-N
MW385.41 g/mol
LogP3.34
Rot. Bonds5

About N-[3-[5-(2-aminocyclopropyl)-2-pyridinyl]-5-(trifluoromethyl)phenyl]ethanesulfonamide

N-[3-[5-(2-aminocyclopropyl)-2-pyridinyl]-5-(trifluoromethyl)phenyl]ethanesulfonamide (PubChem CID 66714168) has the molecular formula C17H18F3N3O2S and a molecular weight of 385.41 g/mol. Its IUPAC name is N-[3-[5-(2-aminocyclopropyl)-2-pyridinyl]-5-(trifluoromethyl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-[5-(2-aminocyclopropyl)-2-pyridinyl]-5-(trifluoromethyl)phenyl]ethanesulfonamide
PubChem CID66714168
Molecular FormulaC17H18F3N3O2S
Molecular Weight385.41 g/mol
Exact Mass385.11
IUPAC NameN-[3-[5-(2-aminocyclopropyl)-2-pyridinyl]-5-(trifluoromethyl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(-c2ccc(C3CC3N)cn2)cc(C(F)(F)F)c1
InChIInChI=1S/C17H18F3N3O2S/c1-2-26(24,25)23-13-6-11(5-12(7-13)17(18,19)20)16-4-3-10(9-22-16)14-8-15(14)21/h3-7,9,14-15,23H,2,8,21H2,1H3
InChIKeyGZWCEYKAMWVCAM-UHFFFAOYSA-N
XLogP3.34
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(2-aminocyclopropyl)-2-pyridinyl]-5-(trifluoromethyl)phenyl]ethanesulfonamide?
The IUPAC name of N-[3-[5-(2-aminocyclopropyl)-2-pyridinyl]-5-(trifluoromethyl)phenyl]ethanesulfonamide (CID 66714168) is N-[3-[5-(2-aminocyclopropyl)-2-pyridinyl]-5-(trifluoromethyl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[3-[5-(2-aminocyclopropyl)-2-pyridinyl]-5-(trifluoromethyl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[3-[5-(2-aminocyclopropyl)-2-pyridinyl]-5-(trifluoromethyl)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1cc(-c2ccc(C3CC3N)cn2)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-[5-(2-aminocyclopropyl)-2-pyridinyl]-5-(trifluoromethyl)phenyl]ethanesulfonamide?
The InChIKey is GZWCEYKAMWVCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2S/c1-2-26(24,25)23-13-6-11(5-12(7-13)17(18,19)20)16-4-3-10(9-22-16)14-8-15(14)21/h3-7,9,14-15,23H,2,8,21H2,1H3.
What are the key properties of N-[3-[5-(2-aminocyclopropyl)-2-pyridinyl]-5-(trifluoromethyl)phenyl]ethanesulfonamide?
N-[3-[5-(2-aminocyclopropyl)-2-pyridinyl]-5-(trifluoromethyl)phenyl]ethanesulfonamide has a molecular weight of 385.41 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(2-aminocyclopropyl)-2-pyridinyl]-5-(trifluoromethyl)phenyl]ethanesulfonamide is sourced from PubChem (CID 66714168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).