(2R)-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methyl-N-(4-methyl-5-nitro-2-pyridinyl)propanamide

C16H16FN3O6S — CID 129013584

IUPAC(2R)-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methyl-N-(4-methyl-5-nitro-2-pyridinyl)propanamide
SMILESCc1cc(NC(=O)[C@@](C)(O)CS(=O)(=O)c2ccc(F)cc2)ncc1[N+](=O)[O-]
InChIInChI=1S/C16H16FN3O6S/c1-10-7-14(18-8-13(10)20(23)24)19-15(21)16(2,22)9-27(25,26)12-5-3-11(17)4-6-12/h3-8,22H,9H2,1-2H3,(H,18,19,21)/t16-/m0/s1
InChIKeyNKWPDINRIULZHA-INIZCTEOSA-N
MW397.38 g/mol
LogP1.60
Rot. Bonds6

About (2R)-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methyl-N-(4-methyl-5-nitro-2-pyridinyl)propanamide

(2R)-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methyl-N-(4-methyl-5-nitro-2-pyridinyl)propanamide (PubChem CID 129013584) has the molecular formula C16H16FN3O6S and a molecular weight of 397.38 g/mol. Its IUPAC name is (2R)-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methyl-N-(4-methyl-5-nitro-2-pyridinyl)propanamide.

Molecular Properties

Compound Name(2R)-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methyl-N-(4-methyl-5-nitro-2-pyridinyl)propanamide
PubChem CID129013584
Molecular FormulaC16H16FN3O6S
Molecular Weight397.38 g/mol
Exact Mass397.07
IUPAC Name(2R)-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methyl-N-(4-methyl-5-nitro-2-pyridinyl)propanamide
SMILESCc1cc(NC(=O)[C@@](C)(O)CS(=O)(=O)c2ccc(F)cc2)ncc1[N+](=O)[O-]
InChIInChI=1S/C16H16FN3O6S/c1-10-7-14(18-8-13(10)20(23)24)19-15(21)16(2,22)9-27(25,26)12-5-3-11(17)4-6-12/h3-8,22H,9H2,1-2H3,(H,18,19,21)/t16-/m0/s1
InChIKeyNKWPDINRIULZHA-INIZCTEOSA-N
XLogP1.60
TPSA139.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.38
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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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-5-nitro-2-pyridinyl)propanamide?
The IUPAC name of (2R)-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methyl-N-(4-methyl-5-nitro-2-pyridinyl)propanamide (CID 129013584) is (2R)-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methyl-N-(4-methyl-5-nitro-2-pyridinyl)propanamide.
What is the SMILES notation for (2R)-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methyl-N-(4-methyl-5-nitro-2-pyridinyl)propanamide?
The canonical SMILES for (2R)-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methyl-N-(4-methyl-5-nitro-2-pyridinyl)propanamide is Cc1cc(NC(=O)[C@@](C)(O)CS(=O)(=O)c2ccc(F)cc2)ncc1[N+](=O)[O-].
What is the InChIKey of (2R)-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methyl-N-(4-methyl-5-nitro-2-pyridinyl)propanamide?
The InChIKey is NKWPDINRIULZHA-INIZCTEOSA-N. The full InChI is InChI=1S/C16H16FN3O6S/c1-10-7-14(18-8-13(10)20(23)24)19-15(21)16(2,22)9-27(25,26)12-5-3-11(17)4-6-12/h3-8,22H,9H2,1-2H3,(H,18,19,21)/t16-/m0/s1.
What are the key properties of (2R)-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methyl-N-(4-methyl-5-nitro-2-pyridinyl)propanamide?
(2R)-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methyl-N-(4-methyl-5-nitro-2-pyridinyl)propanamide has a molecular weight of 397.38 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methyl-N-(4-methyl-5-nitro-2-pyridinyl)propanamide is sourced from PubChem (CID 129013584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).