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

C23H29N3O5S — CID 21068940

IUPACN-hydroxy-4-[4-[4-(4-methylphenyl)phenyl]piperazin-1-yl]sulfonyloxane-4-carboxamide
SMILESCc1ccc(-c2ccc(N3CCN(S(=O)(=O)C4(C(=O)NO)CCOCC4)CC3)cc2)cc1
InChIInChI=1S/C23H29N3O5S/c1-18-2-4-19(5-3-18)20-6-8-21(9-7-20)25-12-14-26(15-13-25)32(29,30)23(22(27)24-28)10-16-31-17-11-23/h2-9,28H,10-17H2,1H3,(H,24,27)
InChIKeyWWBNRSYDSHAYQD-UHFFFAOYSA-N
MW459.57 g/mol
LogP2.17
Rot. Bonds5

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

N-hydroxy-4-[4-[4-(4-methylphenyl)phenyl]piperazin-1-yl]sulfonyloxane-4-carboxamide (PubChem CID 21068940) has the molecular formula C23H29N3O5S and a molecular weight of 459.57 g/mol. Its IUPAC name is N-hydroxy-4-[4-[4-(4-methylphenyl)phenyl]piperazin-1-yl]sulfonyloxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-[4-(4-methylphenyl)phenyl]piperazin-1-yl]sulfonyloxane-4-carboxamide
PubChem CID21068940
Molecular FormulaC23H29N3O5S
Molecular Weight459.57 g/mol
Exact Mass459.18
IUPAC NameN-hydroxy-4-[4-[4-(4-methylphenyl)phenyl]piperazin-1-yl]sulfonyloxane-4-carboxamide
SMILESCc1ccc(-c2ccc(N3CCN(S(=O)(=O)C4(C(=O)NO)CCOCC4)CC3)cc2)cc1
InChIInChI=1S/C23H29N3O5S/c1-18-2-4-19(5-3-18)20-6-8-21(9-7-20)25-12-14-26(15-13-25)32(29,30)23(22(27)24-28)10-16-31-17-11-23/h2-9,28H,10-17H2,1H3,(H,24,27)
InChIKeyWWBNRSYDSHAYQD-UHFFFAOYSA-N
XLogP2.17
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 52.17
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'}

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Related Compounds

N-hydroxy-4-[4-[4-[4-(trifluoromethoxy)phenyl]phenyl]piperazin-1-yl]sulfonyloxane-4-carboxamide;hydrochloride
CID 162312650
4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide;hydrochloride
CID 169423979
N-hydroxy-4-[4-(3-methyl-4-propan-2-yloxyphenyl)piperazin-1-yl]sulfonyloxane-4-carboxamide
CID 21068925
4-[4-(3-fluoro-4-phenylphenyl)piperazin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 21068741
4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(4-methylphenyl)piperidine-4-carboxamide
CID 21068872
N-hydroxy-1-(4-methylphenyl)-4-[4-(4-pentylphenyl)piperazin-1-yl]sulfonylpiperidine-4-carboxamide;hydrochloride
CID 162328110
N-hydroxy-4-[4-[4-(2,2,2-trifluoroethoxymethyl)phenyl]piperazin-1-yl]sulfonyloxane-4-carboxamide
CID 21068751
ethane;N-hydroxy-4-[4-[4-(4,4,4-trifluorobutoxy)phenyl]piperazin-1-yl]sulfonyloxane-4-carboxamide
CID 143045285
4-[4-(4-cyclobutyloxy-3-fluorophenyl)piperazin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 21068900
N-hydroxy-1-[4-(4-propoxyphenyl)piperazin-1-yl]sulfonylcyclopentane-1-carboxamide
CID 21068563
4-[4-(3-fluoro-4-thiophen-2-ylphenyl)piperazin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide;hydrochloride
CID 162329905
4-[4-[3-fluoro-4-(4,4,4-trifluorobutyl)phenyl]piperazin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide;hydrochloride
CID 169427121

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-[4-(4-methylphenyl)phenyl]piperazin-1-yl]sulfonyloxane-4-carboxamide?
The IUPAC name of N-hydroxy-4-[4-[4-(4-methylphenyl)phenyl]piperazin-1-yl]sulfonyloxane-4-carboxamide (CID 21068940) is N-hydroxy-4-[4-[4-(4-methylphenyl)phenyl]piperazin-1-yl]sulfonyloxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[4-[4-(4-methylphenyl)phenyl]piperazin-1-yl]sulfonyloxane-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[4-[4-(4-methylphenyl)phenyl]piperazin-1-yl]sulfonyloxane-4-carboxamide is Cc1ccc(-c2ccc(N3CCN(S(=O)(=O)C4(C(=O)NO)CCOCC4)CC3)cc2)cc1.
What is the InChIKey of N-hydroxy-4-[4-[4-(4-methylphenyl)phenyl]piperazin-1-yl]sulfonyloxane-4-carboxamide?
The InChIKey is WWBNRSYDSHAYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5S/c1-18-2-4-19(5-3-18)20-6-8-21(9-7-20)25-12-14-26(15-13-25)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-(4-methylphenyl)phenyl]piperazin-1-yl]sulfonyloxane-4-carboxamide?
N-hydroxy-4-[4-[4-(4-methylphenyl)phenyl]piperazin-1-yl]sulfonyloxane-4-carboxamide has a molecular weight of 459.57 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-[4-(4-methylphenyl)phenyl]piperazin-1-yl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 21068940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).