N-hydroxy-4-[[6-[4-[methyl-[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl]-3-pyridinyl]sulfonyl]oxane-4-carboxamide;hydrochloride

C26H25ClF3N3O7S — CID 158934019

IUPACN-hydroxy-4-[[6-[4-[methyl-[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl]-3-pyridinyl]sulfonyl]oxane-4-carboxamide;hydrochloride
SMILESCN(C(=O)c1ccc(-c2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cn2)cc1)c1ccc(OC(F)(F)F)cc1.Cl
InChIInChI=1S/C26H24F3N3O7S.ClH/c1-32(19-6-8-20(9-7-19)39-26(27,28)29)23(33)18-4-2-17(3-5-18)22-11-10-21(16-30-22)40(36,37)25(24(34)31-35)12-14-38-15-13-25;/h2-11,16,35H,12-15H2,1H3,(H,31,34);1H
InChIKeyODRVKSJCNORJAV-UHFFFAOYSA-N
MW616.01 g/mol
LogP4.17
Rot. Bonds7

About N-hydroxy-4-[[6-[4-[methyl-[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl]-3-pyridinyl]sulfonyl]oxane-4-carboxamide;hydrochloride

N-hydroxy-4-[[6-[4-[methyl-[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl]-3-pyridinyl]sulfonyl]oxane-4-carboxamide;hydrochloride (PubChem CID 158934019) has the molecular formula C26H25ClF3N3O7S and a molecular weight of 616.01 g/mol. Its IUPAC name is N-hydroxy-4-[[6-[4-[methyl-[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl]-3-pyridinyl]sulfonyl]oxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-hydroxy-4-[[6-[4-[methyl-[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl]-3-pyridinyl]sulfonyl]oxane-4-carboxamide;hydrochloride
PubChem CID158934019
Molecular FormulaC26H25ClF3N3O7S
Molecular Weight616.01 g/mol
Exact Mass615.11
IUPAC NameN-hydroxy-4-[[6-[4-[methyl-[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl]-3-pyridinyl]sulfonyl]oxane-4-carboxamide;hydrochloride
SMILESCN(C(=O)c1ccc(-c2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cn2)cc1)c1ccc(OC(F)(F)F)cc1.Cl
InChIInChI=1S/C26H24F3N3O7S.ClH/c1-32(19-6-8-20(9-7-19)39-26(27,28)29)23(33)18-4-2-17(3-5-18)22-11-10-21(16-30-22)40(36,37)25(24(34)31-35)12-14-38-15-13-25;/h2-11,16,35H,12-15H2,1H3,(H,31,34);1H
InChIKeyODRVKSJCNORJAV-UHFFFAOYSA-N
XLogP4.17
TPSA135.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500616.01
LogP ≤ 54.17
H-Bond Donors ≤ 52
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'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[[6-[4-[methyl-[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl]-3-pyridinyl]sulfonyl]oxane-4-carboxamide;hydrochloride?
The IUPAC name of N-hydroxy-4-[[6-[4-[methyl-[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl]-3-pyridinyl]sulfonyl]oxane-4-carboxamide;hydrochloride (CID 158934019) is N-hydroxy-4-[[6-[4-[methyl-[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl]-3-pyridinyl]sulfonyl]oxane-4-carboxamide;hydrochloride.
What is the SMILES notation for N-hydroxy-4-[[6-[4-[methyl-[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl]-3-pyridinyl]sulfonyl]oxane-4-carboxamide;hydrochloride?
The canonical SMILES for N-hydroxy-4-[[6-[4-[methyl-[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl]-3-pyridinyl]sulfonyl]oxane-4-carboxamide;hydrochloride is CN(C(=O)c1ccc(-c2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cn2)cc1)c1ccc(OC(F)(F)F)cc1.Cl.
What is the InChIKey of N-hydroxy-4-[[6-[4-[methyl-[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl]-3-pyridinyl]sulfonyl]oxane-4-carboxamide;hydrochloride?
The InChIKey is ODRVKSJCNORJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N3O7S.ClH/c1-32(19-6-8-20(9-7-19)39-26(27,28)29)23(33)18-4-2-17(3-5-18)22-11-10-21(16-30-22)40(36,37)25(24(34)31-35)12-14-38-15-13-25;/h2-11,16,35H,12-15H2,1H3,(H,31,34);1H.
What are the key properties of N-hydroxy-4-[[6-[4-[methyl-[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl]-3-pyridinyl]sulfonyl]oxane-4-carboxamide;hydrochloride?
N-hydroxy-4-[[6-[4-[methyl-[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl]-3-pyridinyl]sulfonyl]oxane-4-carboxamide;hydrochloride has a molecular weight of 616.01 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[6-[4-[methyl-[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl]-3-pyridinyl]sulfonyl]oxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 158934019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).