N-[4-(4-cyclopropyl-3-pyridinyl)-3-(trifluoromethyl)phenyl]methanesulfonamide

C16H15F3N2O2S — CID 56654385

IUPACN-[4-(4-cyclopropyl-3-pyridinyl)-3-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2cnccc2C2CC2)c(C(F)(F)F)c1
InChIInChI=1S/C16H15F3N2O2S/c1-24(22,23)21-11-4-5-13(15(8-11)16(17,18)19)14-9-20-7-6-12(14)10-2-3-10/h4-10,21H,2-3H2,1H3
InChIKeyVGPPLDQBDHQDMK-UHFFFAOYSA-N
MW356.37 g/mol
LogP4.02
Rot. Bonds4

About N-[4-(4-cyclopropyl-3-pyridinyl)-3-(trifluoromethyl)phenyl]methanesulfonamide

N-[4-(4-cyclopropyl-3-pyridinyl)-3-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 56654385) has the molecular formula C16H15F3N2O2S and a molecular weight of 356.37 g/mol. Its IUPAC name is N-[4-(4-cyclopropyl-3-pyridinyl)-3-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(4-cyclopropyl-3-pyridinyl)-3-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID56654385
Molecular FormulaC16H15F3N2O2S
Molecular Weight356.37 g/mol
Exact Mass356.08
IUPAC NameN-[4-(4-cyclopropyl-3-pyridinyl)-3-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2cnccc2C2CC2)c(C(F)(F)F)c1
InChIInChI=1S/C16H15F3N2O2S/c1-24(22,23)21-11-4-5-13(15(8-11)16(17,18)19)14-9-20-7-6-12(14)10-2-3-10/h4-10,21H,2-3H2,1H3
InChIKeyVGPPLDQBDHQDMK-UHFFFAOYSA-N
XLogP4.02
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyclopropyl-3-pyridinyl)-3-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(4-cyclopropyl-3-pyridinyl)-3-(trifluoromethyl)phenyl]methanesulfonamide (CID 56654385) is N-[4-(4-cyclopropyl-3-pyridinyl)-3-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(4-cyclopropyl-3-pyridinyl)-3-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(4-cyclopropyl-3-pyridinyl)-3-(trifluoromethyl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(-c2cnccc2C2CC2)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-(4-cyclopropyl-3-pyridinyl)-3-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is VGPPLDQBDHQDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2S/c1-24(22,23)21-11-4-5-13(15(8-11)16(17,18)19)14-9-20-7-6-12(14)10-2-3-10/h4-10,21H,2-3H2,1H3.
What are the key properties of N-[4-(4-cyclopropyl-3-pyridinyl)-3-(trifluoromethyl)phenyl]methanesulfonamide?
N-[4-(4-cyclopropyl-3-pyridinyl)-3-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 356.37 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyclopropyl-3-pyridinyl)-3-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 56654385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).