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

C17H17F4N3O4S — CID 118614918

IUPAC(2R)-N-[6-ethyl-5-(trifluoromethyl)pyridazin-3-yl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide
SMILESCCc1nnc(NC(=O)[C@@](C)(O)CS(=O)(=O)c2ccc(F)cc2)cc1C(F)(F)F
InChIInChI=1S/C17H17F4N3O4S/c1-3-13-12(17(19,20)21)8-14(24-23-13)22-15(25)16(2,26)9-29(27,28)11-6-4-10(18)5-7-11/h4-8,26H,3,9H2,1-2H3,(H,22,24,25)/t16-/m0/s1
InChIKeyDPYNKBZYXIXMHC-INIZCTEOSA-N
MW435.40 g/mol
LogP2.36
Rot. Bonds6

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

(2R)-N-[6-ethyl-5-(trifluoromethyl)pyridazin-3-yl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide (PubChem CID 118614918) has the molecular formula C17H17F4N3O4S and a molecular weight of 435.40 g/mol. Its IUPAC name is (2R)-N-[6-ethyl-5-(trifluoromethyl)pyridazin-3-yl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound Name(2R)-N-[6-ethyl-5-(trifluoromethyl)pyridazin-3-yl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide
PubChem CID118614918
Molecular FormulaC17H17F4N3O4S
Molecular Weight435.40 g/mol
Exact Mass435.09
IUPAC Name(2R)-N-[6-ethyl-5-(trifluoromethyl)pyridazin-3-yl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide
SMILESCCc1nnc(NC(=O)[C@@](C)(O)CS(=O)(=O)c2ccc(F)cc2)cc1C(F)(F)F
InChIInChI=1S/C17H17F4N3O4S/c1-3-13-12(17(19,20)21)8-14(24-23-13)22-15(25)16(2,26)9-29(27,28)11-6-4-10(18)5-7-11/h4-8,26H,3,9H2,1-2H3,(H,22,24,25)/t16-/m0/s1
InChIKeyDPYNKBZYXIXMHC-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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Related Compounds

(2R)-N-[6-ethyl-5-(trifluoromethyl)-3-pyridinyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide
CID 118614965
4-[(2R)-3-[[5-ethyl-4-(trifluoromethyl)-2-pyridinyl]amino]-2-hydroxy-2-methyl-3-oxopropyl]sulfonyl-N-methylbenzamide
CID 118614979
4-[(2R)-3-[[5-ethyl-4-(trifluoromethyl)-2-pyridinyl]amino]-2-hydroxy-2-methyl-3-oxopropyl]sulfonyl-2-fluoro-N-methylbenzamide
CID 118614982
N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 11635858
N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxy-2-methyl-3-(4-methylphenyl)sulfonylpropanamide
CID 118614924
[4-[(2R)-2-hydroxy-3-[4-isocyano-3-(trifluoromethyl)anilino]-2-methyl-3-oxopropyl]sulfonylphenyl]-propyltin
CID 59903816
N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-(4-methylphenyl)sulfonylpropanamide
CID 58233827
2-hydroxy-2-methyl-3-(4-methylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 3512423
(2R)-2-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-methylpropanamide
CID 46893554
N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methyl-N-propan-2-ylpropanamide
CID 135213497
(2R)-3-(benzenesulfonyl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
CID 76972530
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[(4-fluorophenyl)sulfonylmethylamino]-2-methylpropanamide
CID 67337779

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[6-ethyl-5-(trifluoromethyl)pyridazin-3-yl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide?
The IUPAC name of (2R)-N-[6-ethyl-5-(trifluoromethyl)pyridazin-3-yl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide (CID 118614918) is (2R)-N-[6-ethyl-5-(trifluoromethyl)pyridazin-3-yl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for (2R)-N-[6-ethyl-5-(trifluoromethyl)pyridazin-3-yl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide?
The canonical SMILES for (2R)-N-[6-ethyl-5-(trifluoromethyl)pyridazin-3-yl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide is CCc1nnc(NC(=O)[C@@](C)(O)CS(=O)(=O)c2ccc(F)cc2)cc1C(F)(F)F.
What is the InChIKey of (2R)-N-[6-ethyl-5-(trifluoromethyl)pyridazin-3-yl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide?
The InChIKey is DPYNKBZYXIXMHC-INIZCTEOSA-N. The full InChI is InChI=1S/C17H17F4N3O4S/c1-3-13-12(17(19,20)21)8-14(24-23-13)22-15(25)16(2,26)9-29(27,28)11-6-4-10(18)5-7-11/h4-8,26H,3,9H2,1-2H3,(H,22,24,25)/t16-/m0/s1.
What are the key properties of (2R)-N-[6-ethyl-5-(trifluoromethyl)pyridazin-3-yl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide?
(2R)-N-[6-ethyl-5-(trifluoromethyl)pyridazin-3-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-[6-ethyl-5-(trifluoromethyl)pyridazin-3-yl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 118614918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).