(2R)-N-[5-ethyl-6-(trifluoromethyl)pyrazin-2-yl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide

C17H17F4N3O4S — CID 118614922

IUPAC(2R)-N-[5-ethyl-6-(trifluoromethyl)pyrazin-2-yl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide
SMILESCCc1ncc(NC(=O)[C@@](C)(O)CS(=O)(=O)c2ccc(F)cc2)nc1C(F)(F)F
InChIInChI=1S/C17H17F4N3O4S/c1-3-12-14(17(19,20)21)23-13(8-22-12)24-15(25)16(2,26)9-29(27,28)11-6-4-10(18)5-7-11/h4-8,26H,3,9H2,1-2H3,(H,23,24,25)/t16-/m0/s1
InChIKeyMPNSQIBVPPOPHH-INIZCTEOSA-N
MW435.40 g/mol
LogP2.36
Rot. Bonds6

About (2R)-N-[5-ethyl-6-(trifluoromethyl)pyrazin-2-yl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide

(2R)-N-[5-ethyl-6-(trifluoromethyl)pyrazin-2-yl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide (PubChem CID 118614922) has the molecular formula C17H17F4N3O4S and a molecular weight of 435.40 g/mol. Its IUPAC name is (2R)-N-[5-ethyl-6-(trifluoromethyl)pyrazin-2-yl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound Name(2R)-N-[5-ethyl-6-(trifluoromethyl)pyrazin-2-yl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide
PubChem CID118614922
Molecular FormulaC17H17F4N3O4S
Molecular Weight435.40 g/mol
Exact Mass435.09
IUPAC Name(2R)-N-[5-ethyl-6-(trifluoromethyl)pyrazin-2-yl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide
SMILESCCc1ncc(NC(=O)[C@@](C)(O)CS(=O)(=O)c2ccc(F)cc2)nc1C(F)(F)F
InChIInChI=1S/C17H17F4N3O4S/c1-3-12-14(17(19,20)21)23-13(8-22-12)24-15(25)16(2,26)9-29(27,28)11-6-4-10(18)5-7-11/h4-8,26H,3,9H2,1-2H3,(H,23,24,25)/t16-/m0/s1
InChIKeyMPNSQIBVPPOPHH-INIZCTEOSA-N
XLogP2.36
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.40
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-ethyl-6-(trifluoromethyl)pyrazin-2-yl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide?
The IUPAC name of (2R)-N-[5-ethyl-6-(trifluoromethyl)pyrazin-2-yl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide (CID 118614922) is (2R)-N-[5-ethyl-6-(trifluoromethyl)pyrazin-2-yl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for (2R)-N-[5-ethyl-6-(trifluoromethyl)pyrazin-2-yl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide?
The canonical SMILES for (2R)-N-[5-ethyl-6-(trifluoromethyl)pyrazin-2-yl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide is CCc1ncc(NC(=O)[C@@](C)(O)CS(=O)(=O)c2ccc(F)cc2)nc1C(F)(F)F.
What is the InChIKey of (2R)-N-[5-ethyl-6-(trifluoromethyl)pyrazin-2-yl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide?
The InChIKey is MPNSQIBVPPOPHH-INIZCTEOSA-N. The full InChI is InChI=1S/C17H17F4N3O4S/c1-3-12-14(17(19,20)21)23-13(8-22-12)24-15(25)16(2,26)9-29(27,28)11-6-4-10(18)5-7-11/h4-8,26H,3,9H2,1-2H3,(H,23,24,25)/t16-/m0/s1.
What are the key properties of (2R)-N-[5-ethyl-6-(trifluoromethyl)pyrazin-2-yl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide?
(2R)-N-[5-ethyl-6-(trifluoromethyl)pyrazin-2-yl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide has a molecular weight of 435.40 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[5-ethyl-6-(trifluoromethyl)pyrazin-2-yl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 118614922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).