5-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenyl]-N-(2,2,3,3,3-pentafluoropropyl)pyrazine-2-carboxamide

C20H19F5N4O6S — CID 10324941

IUPAC5-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenyl]-N-(2,2,3,3,3-pentafluoropropyl)pyrazine-2-carboxamide
SMILESO=C(NCC(F)(F)C(F)(F)F)c1cnc(-c2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)cn1
InChIInChI=1S/C20H19F5N4O6S/c21-19(22,20(23,24)25)11-28-16(30)15-10-26-14(9-27-15)12-1-3-13(4-2-12)36(33,34)18(17(31)29-32)5-7-35-8-6-18/h1-4,9-10,32H,5-8,11H2,(H,28,30)(H,29,31)
InChIKeyJIDXGXLSYLXFNS-UHFFFAOYSA-N
MW538.45 g/mol
LogP1.90
Rot. Bonds7

About 5-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenyl]-N-(2,2,3,3,3-pentafluoropropyl)pyrazine-2-carboxamide

5-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenyl]-N-(2,2,3,3,3-pentafluoropropyl)pyrazine-2-carboxamide (PubChem CID 10324941) has the molecular formula C20H19F5N4O6S and a molecular weight of 538.45 g/mol. Its IUPAC name is 5-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenyl]-N-(2,2,3,3,3-pentafluoropropyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenyl]-N-(2,2,3,3,3-pentafluoropropyl)pyrazine-2-carboxamide
PubChem CID10324941
Molecular FormulaC20H19F5N4O6S
Molecular Weight538.45 g/mol
Exact Mass538.09
IUPAC Name5-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenyl]-N-(2,2,3,3,3-pentafluoropropyl)pyrazine-2-carboxamide
SMILESO=C(NCC(F)(F)C(F)(F)F)c1cnc(-c2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)cn1
InChIInChI=1S/C20H19F5N4O6S/c21-19(22,20(23,24)25)11-28-16(30)15-10-26-14(9-27-15)12-1-3-13(4-2-12)36(33,34)18(17(31)29-32)5-7-35-8-6-18/h1-4,9-10,32H,5-8,11H2,(H,28,30)(H,29,31)
InChIKeyJIDXGXLSYLXFNS-UHFFFAOYSA-N
XLogP1.90
TPSA147.58 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.45
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenyl]-N-(2,2,3,3,3-pentafluoropropyl)pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-hydroxy-4-[4-[5-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]pyridin-2-yl]phenyl]sulfonyloxane-4-carboxamide
CID 10007916
N-hydroxy-4-[4-[5-(4,4,4-trifluorobutoxy)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide
CID 10368260
N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyridin-2-yl]phenyl]sulfonyloxane-4-carboxamide
CID 10368990
1-cyclopropyl-N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyrazin-2-yl]phenyl]sulfonylpiperidine-4-carboxamide
CID 10370267
N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide
CID 10390098
N-hydroxy-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide
CID 10411874
N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)pyridin-2-yl]phenyl]sulfonyloxane-4-carboxamide
CID 10412528
1-ethyl-N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyrazin-2-yl]phenyl]sulfonylpiperidine-4-carboxamide
CID 10414809
N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyrazin-2-yl]phenyl]sulfonylpiperidine-4-carboxamide
CID 10483043
4-({4-[5-(3,3-difluorobutyl)pyrazin-2-yl]phenyl}sulfonyl)-N-hydroxytetrahydro-2H-pyran-4-carboxamide hydrochloride
CID 11540461
4-[4-[5-(3,3-difluorobutyl)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 11540462
N-hydroxy-4-({4-[5-(3,3,4,4,4-pentafluorobutyl)pyrazin-2-yl]phenyl}sulfonyl)tetrahydro-2H-pyran-4-carboxamide Hydrochloride
CID 11613633

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenyl]-N-(2,2,3,3,3-pentafluoropropyl)pyrazine-2-carboxamide?
The IUPAC name of 5-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenyl]-N-(2,2,3,3,3-pentafluoropropyl)pyrazine-2-carboxamide (CID 10324941) is 5-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenyl]-N-(2,2,3,3,3-pentafluoropropyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenyl]-N-(2,2,3,3,3-pentafluoropropyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenyl]-N-(2,2,3,3,3-pentafluoropropyl)pyrazine-2-carboxamide is O=C(NCC(F)(F)C(F)(F)F)c1cnc(-c2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)cn1.
What is the InChIKey of 5-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenyl]-N-(2,2,3,3,3-pentafluoropropyl)pyrazine-2-carboxamide?
The InChIKey is JIDXGXLSYLXFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F5N4O6S/c21-19(22,20(23,24)25)11-28-16(30)15-10-26-14(9-27-15)12-1-3-13(4-2-12)36(33,34)18(17(31)29-32)5-7-35-8-6-18/h1-4,9-10,32H,5-8,11H2,(H,28,30)(H,29,31).
What are the key properties of 5-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenyl]-N-(2,2,3,3,3-pentafluoropropyl)pyrazine-2-carboxamide?
5-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenyl]-N-(2,2,3,3,3-pentafluoropropyl)pyrazine-2-carboxamide has a molecular weight of 538.45 g/mol, XLogP of 1.90, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenyl]-N-(2,2,3,3,3-pentafluoropropyl)pyrazine-2-carboxamide is sourced from PubChem (CID 10324941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).