N-hydroxy-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;N-(oxan-2-yloxy)-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride

C43H49ClF6N6O11S2 — CID 158141716

IUPACN-hydroxy-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;N-(oxan-2-yloxy)-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride
SMILESCl.O=C(NO)C1(S(=O)(=O)c2ccc(-c3cnc(CCC(F)(F)F)cn3)cc2)CCOCC1.O=C(NOC1CCCCO1)C1(S(=O)(=O)c2ccc(-c3cnc(CCC(F)(F)F)cn3)cc2)CCOCC1
InChIInChI=1S/C24H28F3N3O6S.C19H20F3N3O5S.ClH/c25-24(26,27)9-8-18-15-29-20(16-28-18)17-4-6-19(7-5-17)37(32,33)23(10-13-34-14-11-23)22(31)30-36-21-3-1-2-12-35-21;20-19(21,22)6-5-14-11-24-16(12-23-14)13-1-3-15(4-2-13)31(28,29)18(17(26)25-27)7-9-30-10-8-18;/h4-7,15-16,21H,1-3,8-14H2,(H,30,31);1-4,11-12,27H,5-10H2,(H,25,26);1H
InChIKeyAOKKHFCZFORXSC-UHFFFAOYSA-N
MW1039.47 g/mol
LogP6.42
Rot. Bonds14

About N-hydroxy-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;N-(oxan-2-yloxy)-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride

N-hydroxy-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;N-(oxan-2-yloxy)-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride (PubChem CID 158141716) has the molecular formula C43H49ClF6N6O11S2 and a molecular weight of 1039.47 g/mol. Its IUPAC name is N-hydroxy-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;N-(oxan-2-yloxy)-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-hydroxy-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;N-(oxan-2-yloxy)-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride
PubChem CID158141716
Molecular FormulaC43H49ClF6N6O11S2
Molecular Weight1039.47 g/mol
Exact Mass1038.25
IUPAC NameN-hydroxy-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;N-(oxan-2-yloxy)-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride
SMILESCl.O=C(NO)C1(S(=O)(=O)c2ccc(-c3cnc(CCC(F)(F)F)cn3)cc2)CCOCC1.O=C(NOC1CCCCO1)C1(S(=O)(=O)c2ccc(-c3cnc(CCC(F)(F)F)cn3)cc2)CCOCC1
InChIInChI=1S/C24H28F3N3O6S.C19H20F3N3O5S.ClH/c25-24(26,27)9-8-18-15-29-20(16-28-18)17-4-6-19(7-5-17)37(32,33)23(10-13-34-14-11-23)22(31)30-36-21-3-1-2-12-35-21;20-19(21,22)6-5-14-11-24-16(12-23-14)13-1-3-15(4-2-13)31(28,29)18(17(26)25-27)7-9-30-10-8-18;/h4-7,15-16,21H,1-3,8-14H2,(H,30,31);1-4,11-12,27H,5-10H2,(H,25,26);1H
InChIKeyAOKKHFCZFORXSC-UHFFFAOYSA-N
XLogP6.42
TPSA235.19 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds14
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001039.47
LogP ≤ 56.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze N-hydroxy-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;N-(oxan-2-yloxy)-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride with MolForge

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Related Compounds

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
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
N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide
CID 11613634
N-hydroxy-4-({4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]phenyl}sulfonyl)tetrahydro-2H-pyran-4-carboxamide Hydrochloride
CID 11720395
N-(oxan-2-yloxy)-4-[4-[5-(4,4,4-trifluorobutyl)pyridin-2-yl]phenyl]sulfonyloxane-4-carboxamide
CID 58623051
N-(oxan-2-yloxy)-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide
CID 58623067
1-cyclopropyl-N-(oxan-2-yloxy)-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyridin-2-yl]phenyl]sulfonylpiperidine-4-carboxamide
CID 58623082
1-cyclopropyl-N-(oxan-2-yloxy)-4-[4-[5-(4,4,4-trifluorobutyl)pyridin-2-yl]phenyl]sulfonylpiperidine-4-carboxamide
CID 58623087
1-ethyl-N-(oxan-2-yloxy)-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyridin-2-yl]phenyl]sulfonylpiperidine-4-carboxamide
CID 58623109

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;N-(oxan-2-yloxy)-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride?
The IUPAC name of N-hydroxy-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;N-(oxan-2-yloxy)-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride (CID 158141716) is N-hydroxy-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;N-(oxan-2-yloxy)-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride.
What is the SMILES notation for N-hydroxy-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;N-(oxan-2-yloxy)-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride?
The canonical SMILES for N-hydroxy-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;N-(oxan-2-yloxy)-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride is Cl.O=C(NO)C1(S(=O)(=O)c2ccc(-c3cnc(CCC(F)(F)F)cn3)cc2)CCOCC1.O=C(NOC1CCCCO1)C1(S(=O)(=O)c2ccc(-c3cnc(CCC(F)(F)F)cn3)cc2)CCOCC1.
What is the InChIKey of N-hydroxy-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;N-(oxan-2-yloxy)-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride?
The InChIKey is AOKKHFCZFORXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N3O6S.C19H20F3N3O5S.ClH/c25-24(26,27)9-8-18-15-29-20(16-28-18)17-4-6-19(7-5-17)37(32,33)23(10-13-34-14-11-23)22(31)30-36-21-3-1-2-12-35-21;20-19(21,22)6-5-14-11-24-16(12-23-14)13-1-3-15(4-2-13)31(28,29)18(17(26)25-27)7-9-30-10-8-18;/h4-7,15-16,21H,1-3,8-14H2,(H,30,31);1-4,11-12,27H,5-10H2,(H,25,26);1H.
What are the key properties of N-hydroxy-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;N-(oxan-2-yloxy)-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride?
N-hydroxy-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;N-(oxan-2-yloxy)-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride has a molecular weight of 1039.47 g/mol, XLogP of 6.42, 14 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;N-(oxan-2-yloxy)-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 158141716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).