(2R)-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]propanamide

C16H14F4N2O4S — CID 118614984

IUPAC(2R)-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESC[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C16H14F4N2O4S/c1-15(24,9-27(25,26)12-4-2-11(17)3-5-12)14(23)22-13-8-10(6-7-21-13)16(18,19)20/h2-8,24H,9H2,1H3,(H,21,22,23)/t15-/m0/s1
InChIKeyZNUCGNIOHAFTFG-HNNXBMFYSA-N
MW406.36 g/mol
LogP2.40
Rot. Bonds5

About (2R)-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]propanamide

(2R)-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]propanamide (PubChem CID 118614984) has the molecular formula C16H14F4N2O4S and a molecular weight of 406.36 g/mol. Its IUPAC name is (2R)-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]propanamide.

Molecular Properties

Compound Name(2R)-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]propanamide
PubChem CID118614984
Molecular FormulaC16H14F4N2O4S
Molecular Weight406.36 g/mol
Exact Mass406.06
IUPAC Name(2R)-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESC[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C16H14F4N2O4S/c1-15(24,9-27(25,26)12-4-2-11(17)3-5-12)14(23)22-13-8-10(6-7-21-13)16(18,19)20/h2-8,24H,9H2,1H3,(H,21,22,23)/t15-/m0/s1
InChIKeyZNUCGNIOHAFTFG-HNNXBMFYSA-N
XLogP2.40
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.36
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]propanamide?
The IUPAC name of (2R)-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]propanamide (CID 118614984) is (2R)-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]propanamide.
What is the SMILES notation for (2R)-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]propanamide?
The canonical SMILES for (2R)-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]propanamide is C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cc(C(F)(F)F)ccn1.
What is the InChIKey of (2R)-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]propanamide?
The InChIKey is ZNUCGNIOHAFTFG-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H14F4N2O4S/c1-15(24,9-27(25,26)12-4-2-11(17)3-5-12)14(23)22-13-8-10(6-7-21-13)16(18,19)20/h2-8,24H,9H2,1H3,(H,21,22,23)/t15-/m0/s1.
What are the key properties of (2R)-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]propanamide?
(2R)-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]propanamide has a molecular weight of 406.36 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]propanamide is sourced from PubChem (CID 118614984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).