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

C16H17FN2O4S — CID 129013585

IUPAC(2R)-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methyl-N-(4-methyl-2-pyridinyl)propanamide
SMILESCc1ccnc(NC(=O)[C@@](C)(O)CS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C16H17FN2O4S/c1-11-7-8-18-14(9-11)19-15(20)16(2,21)10-24(22,23)13-5-3-12(17)4-6-13/h3-9,21H,10H2,1-2H3,(H,18,19,20)/t16-/m0/s1
InChIKeyMNZDYOGADQNXPJ-INIZCTEOSA-N
MW352.39 g/mol
LogP1.69
Rot. Bonds5

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

(2R)-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methyl-N-(4-methyl-2-pyridinyl)propanamide (PubChem CID 129013585) has the molecular formula C16H17FN2O4S and a molecular weight of 352.39 g/mol. Its IUPAC name is (2R)-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methyl-N-(4-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name(2R)-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methyl-N-(4-methyl-2-pyridinyl)propanamide
PubChem CID129013585
Molecular FormulaC16H17FN2O4S
Molecular Weight352.39 g/mol
Exact Mass352.09
IUPAC Name(2R)-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methyl-N-(4-methyl-2-pyridinyl)propanamide
SMILESCc1ccnc(NC(=O)[C@@](C)(O)CS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C16H17FN2O4S/c1-11-7-8-18-14(9-11)19-15(20)16(2,21)10-24(22,23)13-5-3-12(17)4-6-13/h3-9,21H,10H2,1-2H3,(H,18,19,20)/t16-/m0/s1
InChIKeyMNZDYOGADQNXPJ-INIZCTEOSA-N
XLogP1.69
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.69
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-methyl-2-pyridinyl)propanamide?
The IUPAC name of (2R)-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methyl-N-(4-methyl-2-pyridinyl)propanamide (CID 129013585) is (2R)-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methyl-N-(4-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for (2R)-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methyl-N-(4-methyl-2-pyridinyl)propanamide?
The canonical SMILES for (2R)-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methyl-N-(4-methyl-2-pyridinyl)propanamide is Cc1ccnc(NC(=O)[C@@](C)(O)CS(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of (2R)-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methyl-N-(4-methyl-2-pyridinyl)propanamide?
The InChIKey is MNZDYOGADQNXPJ-INIZCTEOSA-N. The full InChI is InChI=1S/C16H17FN2O4S/c1-11-7-8-18-14(9-11)19-15(20)16(2,21)10-24(22,23)13-5-3-12(17)4-6-13/h3-9,21H,10H2,1-2H3,(H,18,19,20)/t16-/m0/s1.
What are the key properties of (2R)-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methyl-N-(4-methyl-2-pyridinyl)propanamide?
(2R)-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methyl-N-(4-methyl-2-pyridinyl)propanamide has a molecular weight of 352.39 g/mol, XLogP of 1.69, 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-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 129013585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).