N-hydroxy-4-[4-[4-(2-methylphenyl)piperazin-1-yl]phenyl]sulfonyloxane-4-carboxamide

C23H29N3O5S — CID 46891108

IUPACN-hydroxy-4-[4-[4-(2-methylphenyl)piperazin-1-yl]phenyl]sulfonyloxane-4-carboxamide
SMILESCc1ccccc1N1CCN(c2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)CC1
InChIInChI=1S/C23H29N3O5S/c1-18-4-2-3-5-21(18)26-14-12-25(13-15-26)19-6-8-20(9-7-19)32(29,30)23(22(27)24-28)10-16-31-17-11-23/h2-9,28H,10-17H2,1H3,(H,24,27)
InChIKeyHYKTXCHYRXFJMV-UHFFFAOYSA-N
MW459.57 g/mol
LogP2.15
Rot. Bonds5

About N-hydroxy-4-[4-[4-(2-methylphenyl)piperazin-1-yl]phenyl]sulfonyloxane-4-carboxamide

N-hydroxy-4-[4-[4-(2-methylphenyl)piperazin-1-yl]phenyl]sulfonyloxane-4-carboxamide (PubChem CID 46891108) has the molecular formula C23H29N3O5S and a molecular weight of 459.57 g/mol. Its IUPAC name is N-hydroxy-4-[4-[4-(2-methylphenyl)piperazin-1-yl]phenyl]sulfonyloxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-[4-(2-methylphenyl)piperazin-1-yl]phenyl]sulfonyloxane-4-carboxamide
PubChem CID46891108
Molecular FormulaC23H29N3O5S
Molecular Weight459.57 g/mol
Exact Mass459.18
IUPAC NameN-hydroxy-4-[4-[4-(2-methylphenyl)piperazin-1-yl]phenyl]sulfonyloxane-4-carboxamide
SMILESCc1ccccc1N1CCN(c2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)CC1
InChIInChI=1S/C23H29N3O5S/c1-18-4-2-3-5-21(18)26-14-12-25(13-15-26)19-6-8-20(9-7-19)32(29,30)23(22(27)24-28)10-16-31-17-11-23/h2-9,28H,10-17H2,1H3,(H,24,27)
InChIKeyHYKTXCHYRXFJMV-UHFFFAOYSA-N
XLogP2.15
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

N-hydroxy-4-(4-(4-(4-(trifluoromethyl)phenyl)piperazin-1-yl)phenylsulfonyl)tetrahydro-2H-pyran-4-carboxamide
CID 46871738
4-(4-(4-(4-chlorophenyl)piperazin-1-yl)phenylsulfonyl)-N-hydroxytetrahydro-2H-pyran-4-carboxamide
CID 46871739
4-(4-(4-(4-chlorophenyl)piperidin-1-yl)phenylsulfonyl)-N-hydroxytetrahydro-2H-pyran-4-carboxamide
CID 46891256
N-hydroxy-4-(4-(4-phenylpiperazin-1-yl)phenylsulfonyl)tetrahydro-2H-pyran-4-carboxamide
CID 18616892
N-hydroxy-4-(4-(4-phenylpiperidin-1-yl)phenylsulfonyl)tetrahydro-2H-pyran-4-carboxamide
CID 22485263
N-benzyl-1-(4-(1-cyclopropyl-4-(hydroxycarbamoyl)piperidin-4-ylsulfonyl)phenyl)-N-methylpiperidine-4-carboxamide
CID 22707833
4-(4-(4-(4-(2,3-dimethylphenyl)piperazine-1-carbonyl)piperidin-1-yl)phenylsulfonyl)-N-hydroxytetrahydro-2H-pyran-4-carboxamide
CID 46871741
4-(4-(4-(4-(2-(dimethylamino)ethyl)piperazine-1-carbonyl)piperidin-1-yl)phenylsulfonyl)-N-hydroxytetrahydro-2H-pyran-4-carboxamide
CID 46890762
4-(4-(4-(4-(2-fluorophenyl)piperazine-1-carbonyl)piperidin-1-yl)phenylsulfonyl)-N-hydroxytetrahydro-2H-pyran-4-carboxamide
CID 46890763
4-(4-(4-(4-(4-fluorophenyl)piperazine-1-carbonyl)piperidin-1-yl)phenylsulfonyl)-N-hydroxytetrahydro-2H-pyran-4-carboxamide
CID 46890765
4-(4-(4-(4-(2,4-dimethylphenyl)piperazine-1-carbonyl)piperidin-1-yl)phenylsulfonyl)-N-hydroxytetrahydro-2H-pyran-4-carboxamide
CID 46890767
4-(4-(4-(2-fluorophenyl)piperazin-1-yl)phenylsulfonyl)-N-hydroxytetrahydro-2H-pyran-4-carboxamide
CID 46891107

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-[4-(2-methylphenyl)piperazin-1-yl]phenyl]sulfonyloxane-4-carboxamide?
The IUPAC name of N-hydroxy-4-[4-[4-(2-methylphenyl)piperazin-1-yl]phenyl]sulfonyloxane-4-carboxamide (CID 46891108) is N-hydroxy-4-[4-[4-(2-methylphenyl)piperazin-1-yl]phenyl]sulfonyloxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[4-[4-(2-methylphenyl)piperazin-1-yl]phenyl]sulfonyloxane-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[4-[4-(2-methylphenyl)piperazin-1-yl]phenyl]sulfonyloxane-4-carboxamide is Cc1ccccc1N1CCN(c2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)CC1.
What is the InChIKey of N-hydroxy-4-[4-[4-(2-methylphenyl)piperazin-1-yl]phenyl]sulfonyloxane-4-carboxamide?
The InChIKey is HYKTXCHYRXFJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5S/c1-18-4-2-3-5-21(18)26-14-12-25(13-15-26)19-6-8-20(9-7-19)32(29,30)23(22(27)24-28)10-16-31-17-11-23/h2-9,28H,10-17H2,1H3,(H,24,27).
What are the key properties of N-hydroxy-4-[4-[4-(2-methylphenyl)piperazin-1-yl]phenyl]sulfonyloxane-4-carboxamide?
N-hydroxy-4-[4-[4-(2-methylphenyl)piperazin-1-yl]phenyl]sulfonyloxane-4-carboxamide has a molecular weight of 459.57 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-[4-(2-methylphenyl)piperazin-1-yl]phenyl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 46891108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).