(2R)-N-[5-cyano-4-(trifluoromethyl)-2-pyridinyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide

C17H13F4N3O4S — CID 118615044

IUPAC(2R)-N-[5-cyano-4-(trifluoromethyl)-2-pyridinyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide
SMILESC[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cc(C(F)(F)F)c(C#N)cn1
InChIInChI=1S/C17H13F4N3O4S/c1-16(26,9-29(27,28)12-4-2-11(18)3-5-12)15(25)24-14-6-13(17(19,20)21)10(7-22)8-23-14/h2-6,8,26H,9H2,1H3,(H,23,24,25)/t16-/m0/s1
InChIKeyYJEAGZRUUPZIKH-INIZCTEOSA-N
MW431.37 g/mol
LogP2.27
Rot. Bonds5

About (2R)-N-[5-cyano-4-(trifluoromethyl)-2-pyridinyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide

(2R)-N-[5-cyano-4-(trifluoromethyl)-2-pyridinyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide (PubChem CID 118615044) has the molecular formula C17H13F4N3O4S and a molecular weight of 431.37 g/mol. Its IUPAC name is (2R)-N-[5-cyano-4-(trifluoromethyl)-2-pyridinyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound Name(2R)-N-[5-cyano-4-(trifluoromethyl)-2-pyridinyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide
PubChem CID118615044
Molecular FormulaC17H13F4N3O4S
Molecular Weight431.37 g/mol
Exact Mass431.06
IUPAC Name(2R)-N-[5-cyano-4-(trifluoromethyl)-2-pyridinyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide
SMILESC[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cc(C(F)(F)F)c(C#N)cn1
InChIInChI=1S/C17H13F4N3O4S/c1-16(26,9-29(27,28)12-4-2-11(18)3-5-12)15(25)24-14-6-13(17(19,20)21)10(7-22)8-23-14/h2-6,8,26H,9H2,1H3,(H,23,24,25)/t16-/m0/s1
InChIKeyYJEAGZRUUPZIKH-INIZCTEOSA-N
XLogP2.27
TPSA120.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.37
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-cyano-4-(trifluoromethyl)-2-pyridinyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide?
The IUPAC name of (2R)-N-[5-cyano-4-(trifluoromethyl)-2-pyridinyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide (CID 118615044) is (2R)-N-[5-cyano-4-(trifluoromethyl)-2-pyridinyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for (2R)-N-[5-cyano-4-(trifluoromethyl)-2-pyridinyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide?
The canonical SMILES for (2R)-N-[5-cyano-4-(trifluoromethyl)-2-pyridinyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide is C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cc(C(F)(F)F)c(C#N)cn1.
What is the InChIKey of (2R)-N-[5-cyano-4-(trifluoromethyl)-2-pyridinyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide?
The InChIKey is YJEAGZRUUPZIKH-INIZCTEOSA-N. The full InChI is InChI=1S/C17H13F4N3O4S/c1-16(26,9-29(27,28)12-4-2-11(18)3-5-12)15(25)24-14-6-13(17(19,20)21)10(7-22)8-23-14/h2-6,8,26H,9H2,1H3,(H,23,24,25)/t16-/m0/s1.
What are the key properties of (2R)-N-[5-cyano-4-(trifluoromethyl)-2-pyridinyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide?
(2R)-N-[5-cyano-4-(trifluoromethyl)-2-pyridinyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide has a molecular weight of 431.37 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[5-cyano-4-(trifluoromethyl)-2-pyridinyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 118615044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).