N-hydroxy-4-[4-[5-(4,4,4-trifluorobutoxy)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide

C20H22F3N3O6S — CID 10368260

IUPACN-hydroxy-4-[4-[5-(4,4,4-trifluorobutoxy)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(-c3cnc(OCCCC(F)(F)F)cn3)cc2)CCOCC1
InChIInChI=1S/C20H22F3N3O6S/c21-20(22,23)6-1-9-32-17-13-24-16(12-25-17)14-2-4-15(5-3-14)33(29,30)19(18(27)26-28)7-10-31-11-8-19/h2-5,12-13,28H,1,6-11H2,(H,26,27)
InChIKeyRFMHRZJMJLDYHL-UHFFFAOYSA-N
MW489.47 g/mol
LogP2.69
Rot. Bonds8

About N-hydroxy-4-[4-[5-(4,4,4-trifluorobutoxy)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide

N-hydroxy-4-[4-[5-(4,4,4-trifluorobutoxy)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide (PubChem CID 10368260) has the molecular formula C20H22F3N3O6S and a molecular weight of 489.47 g/mol. Its IUPAC name is N-hydroxy-4-[4-[5-(4,4,4-trifluorobutoxy)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-[5-(4,4,4-trifluorobutoxy)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide
PubChem CID10368260
Molecular FormulaC20H22F3N3O6S
Molecular Weight489.47 g/mol
Exact Mass489.12
IUPAC NameN-hydroxy-4-[4-[5-(4,4,4-trifluorobutoxy)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(-c3cnc(OCCCC(F)(F)F)cn3)cc2)CCOCC1
InChIInChI=1S/C20H22F3N3O6S/c21-20(22,23)6-1-9-32-17-13-24-16(12-25-17)14-2-4-15(5-3-14)33(29,30)19(18(27)26-28)7-10-31-11-8-19/h2-5,12-13,28H,1,6-11H2,(H,26,27)
InChIKeyRFMHRZJMJLDYHL-UHFFFAOYSA-N
XLogP2.69
TPSA127.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.47
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-hydroxy-4-[4-[5-(4,4,4-trifluorobutoxy)pyrazin-2-yl]phenyl]sulfonyloxane-4-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
5-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenyl]-N-(2,2,3,3,3-pentafluoropropyl)pyrazine-2-carboxamide
CID 10324941
N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyridin-2-yl]phenyl]sulfonyloxane-4-carboxamide
CID 10368990
N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide
CID 10390098
N-hydroxy-4-[4-[5-(4,4,4-trifluorobutoxy)pyridin-2-yl]phenyl]sulfonyloxane-4-carboxamide
CID 10390777
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
N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(4,4,4-trifluorobutyl)pyridin-2-yl]phenyl]sulfonylpiperidine-4-carboxamide
CID 10414622
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

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-[5-(4,4,4-trifluorobutoxy)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide?
The IUPAC name of N-hydroxy-4-[4-[5-(4,4,4-trifluorobutoxy)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide (CID 10368260) is N-hydroxy-4-[4-[5-(4,4,4-trifluorobutoxy)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[4-[5-(4,4,4-trifluorobutoxy)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[4-[5-(4,4,4-trifluorobutoxy)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide is O=C(NO)C1(S(=O)(=O)c2ccc(-c3cnc(OCCCC(F)(F)F)cn3)cc2)CCOCC1.
What is the InChIKey of N-hydroxy-4-[4-[5-(4,4,4-trifluorobutoxy)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide?
The InChIKey is RFMHRZJMJLDYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O6S/c21-20(22,23)6-1-9-32-17-13-24-16(12-25-17)14-2-4-15(5-3-14)33(29,30)19(18(27)26-28)7-10-31-11-8-19/h2-5,12-13,28H,1,6-11H2,(H,26,27).
What are the key properties of N-hydroxy-4-[4-[5-(4,4,4-trifluorobutoxy)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide?
N-hydroxy-4-[4-[5-(4,4,4-trifluorobutoxy)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide has a molecular weight of 489.47 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-[5-(4,4,4-trifluorobutoxy)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 10368260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).