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

C45H53ClF6N6O11S2 — CID 157279090

IUPACN-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;N-(oxan-2-yloxy)-4-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride
SMILESCl.O=C(NO)C1(S(=O)(=O)c2ccc(-c3cnc(CCCC(F)(F)F)cn3)cc2)CCOCC1.O=C(NOC1CCCCO1)C1(S(=O)(=O)c2ccc(-c3cnc(CCCC(F)(F)F)cn3)cc2)CCOCC1
InChIInChI=1S/C25H30F3N3O6S.C20H22F3N3O5S.ClH/c26-25(27,28)10-3-4-19-16-30-21(17-29-19)18-6-8-20(9-7-18)38(33,34)24(11-14-35-15-12-24)23(32)31-37-22-5-1-2-13-36-22;21-20(22,23)7-1-2-15-12-25-17(13-24-15)14-3-5-16(6-4-14)32(29,30)19(18(27)26-28)8-10-31-11-9-19;/h6-9,16-17,22H,1-5,10-15H2,(H,31,32);3-6,12-13,28H,1-2,7-11H2,(H,26,27);1H
InChIKeyNEVCGBBAJGCISZ-UHFFFAOYSA-N
MW1067.52 g/mol
LogP7.20
Rot. Bonds16

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

N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;N-(oxan-2-yloxy)-4-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride (PubChem CID 157279090) has the molecular formula C45H53ClF6N6O11S2 and a molecular weight of 1067.52 g/mol. Its IUPAC name is N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;N-(oxan-2-yloxy)-4-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;N-(oxan-2-yloxy)-4-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride
PubChem CID157279090
Molecular FormulaC45H53ClF6N6O11S2
Molecular Weight1067.52 g/mol
Exact Mass1066.28
IUPAC NameN-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;N-(oxan-2-yloxy)-4-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride
SMILESCl.O=C(NO)C1(S(=O)(=O)c2ccc(-c3cnc(CCCC(F)(F)F)cn3)cc2)CCOCC1.O=C(NOC1CCCCO1)C1(S(=O)(=O)c2ccc(-c3cnc(CCCC(F)(F)F)cn3)cc2)CCOCC1
InChIInChI=1S/C25H30F3N3O6S.C20H22F3N3O5S.ClH/c26-25(27,28)10-3-4-19-16-30-21(17-29-19)18-6-8-20(9-7-18)38(33,34)24(11-14-35-15-12-24)23(32)31-37-22-5-1-2-13-36-22;21-20(22,23)7-1-2-15-12-25-17(13-24-15)14-3-5-16(6-4-14)32(29,30)19(18(27)26-28)8-10-31-11-9-19;/h6-9,16-17,22H,1-5,10-15H2,(H,31,32);3-6,12-13,28H,1-2,7-11H2,(H,26,27);1H
InChIKeyNEVCGBBAJGCISZ-UHFFFAOYSA-N
XLogP7.20
TPSA235.19 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001067.52
LogP ≤ 57.20
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-(4,4,4-trifluorobutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;N-(oxan-2-yloxy)-4-[4-[5-(4,4,4-trifluorobutyl)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-(4,4,4-trifluorobutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;N-(oxan-2-yloxy)-4-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride?
The IUPAC name of N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;N-(oxan-2-yloxy)-4-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride (CID 157279090) is N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;N-(oxan-2-yloxy)-4-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride.
What is the SMILES notation for N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;N-(oxan-2-yloxy)-4-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride?
The canonical SMILES for N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;N-(oxan-2-yloxy)-4-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride is Cl.O=C(NO)C1(S(=O)(=O)c2ccc(-c3cnc(CCCC(F)(F)F)cn3)cc2)CCOCC1.O=C(NOC1CCCCO1)C1(S(=O)(=O)c2ccc(-c3cnc(CCCC(F)(F)F)cn3)cc2)CCOCC1.
What is the InChIKey of N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;N-(oxan-2-yloxy)-4-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride?
The InChIKey is NEVCGBBAJGCISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F3N3O6S.C20H22F3N3O5S.ClH/c26-25(27,28)10-3-4-19-16-30-21(17-29-19)18-6-8-20(9-7-18)38(33,34)24(11-14-35-15-12-24)23(32)31-37-22-5-1-2-13-36-22;21-20(22,23)7-1-2-15-12-25-17(13-24-15)14-3-5-16(6-4-14)32(29,30)19(18(27)26-28)8-10-31-11-9-19;/h6-9,16-17,22H,1-5,10-15H2,(H,31,32);3-6,12-13,28H,1-2,7-11H2,(H,26,27);1H.
What are the key properties of N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;N-(oxan-2-yloxy)-4-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride?
N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;N-(oxan-2-yloxy)-4-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride has a molecular weight of 1067.52 g/mol, XLogP of 7.20, 16 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-(4,4,4-trifluorobutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;N-(oxan-2-yloxy)-4-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 157279090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).