N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide

C21H21F5N2O5S — CID 10368990

IUPACN-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(-c3ccc(CCC(F)(F)C(F)(F)F)cn3)cc2)CCOCC1
InChIInChI=1S/C21H21F5N2O5S/c22-20(23,21(24,25)26)8-7-14-1-6-17(27-13-14)15-2-4-16(5-3-15)34(31,32)19(18(29)28-30)9-11-33-12-10-19/h1-6,13,30H,7-12H2,(H,28,29)
InChIKeyQISZWCKSRKQJLK-UHFFFAOYSA-N
MW508.47 g/mol
LogP3.71
Rot. Bonds7

About N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide

N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide (PubChem CID 10368990) has the molecular formula C21H21F5N2O5S and a molecular weight of 508.47 g/mol. Its IUPAC name is N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide
PubChem CID10368990
Molecular FormulaC21H21F5N2O5S
Molecular Weight508.47 g/mol
Exact Mass508.11
IUPAC NameN-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(-c3ccc(CCC(F)(F)C(F)(F)F)cn3)cc2)CCOCC1
InChIInChI=1S/C21H21F5N2O5S/c22-20(23,21(24,25)26)8-7-14-1-6-17(27-13-14)15-2-4-16(5-3-15)34(31,32)19(18(29)28-30)9-11-33-12-10-19/h1-6,13,30H,7-12H2,(H,28,29)
InChIKeyQISZWCKSRKQJLK-UHFFFAOYSA-N
XLogP3.71
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.47
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]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

(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5R)-3-[4-[2-(trifluoromethyl)pyridin-4-yl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide
CID 118469079
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5R)-3-[4-[6-(trifluoromethyl)pyridin-3-yl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide
CID 118469155
N-hydroxy-4-(2-methoxyethoxy)-1-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyrazin-2-yl]phenyl]sulfonylcyclohexane-1-carboxamide
CID 9916298
N-hydroxy-1-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyridin-2-yl]piperidin-1-yl]sulfonylcyclopent-3-ene-1-carboxamide
CID 9983334
N-hydroxy-2-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyridin-2-yl]piperidin-1-yl]sulfonyl-2-prop-2-enylpent-4-enamide
CID 9984336
N-hydroxy-4-methoxy-2-(2-methoxyethyl)-2-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyridin-2-yl]piperidin-1-yl]sulfonylbutanamide
CID 9985290
4-[4-[5-(3-fluorophenyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 10004596
N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)pyridin-2-yl]piperidin-1-yl]sulfonyloxane-4-carboxamide
CID 10005329
N-hydroxy-4-(2-methoxyethoxy)-1-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]phenyl]sulfonylcyclohexane-1-carboxamide
CID 10007588
N-hydroxy-4-[4-[5-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]pyridin-2-yl]phenyl]sulfonyloxane-4-carboxamide
CID 10007916
4-[4-[5-(3,3-difluorobutyl)pyridin-2-yl]piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 10027315
N-hydroxy-1-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyridin-2-yl]piperidin-1-yl]sulfonylcyclohexane-1-carboxamide
CID 10075163

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide?
The IUPAC name of N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide (CID 10368990) is N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide is O=C(NO)C1(S(=O)(=O)c2ccc(-c3ccc(CCC(F)(F)C(F)(F)F)cn3)cc2)CCOCC1.
What is the InChIKey of N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide?
The InChIKey is QISZWCKSRKQJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F5N2O5S/c22-20(23,21(24,25)26)8-7-14-1-6-17(27-13-14)15-2-4-16(5-3-15)34(31,32)19(18(29)28-30)9-11-33-12-10-19/h1-6,13,30H,7-12H2,(H,28,29).
What are the key properties of N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide?
N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide has a molecular weight of 508.47 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 10368990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).