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

C23H29N3O6S — CID 46891172

IUPACN-hydroxy-4-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]sulfonyloxane-4-carboxamide
SMILESCOc1ccc(N2CCN(c3ccc(S(=O)(=O)C4(C(=O)NO)CCOCC4)cc3)CC2)cc1
InChIInChI=1S/C23H29N3O6S/c1-31-20-6-2-18(3-7-20)25-12-14-26(15-13-25)19-4-8-21(9-5-19)33(29,30)23(22(27)24-28)10-16-32-17-11-23/h2-9,28H,10-17H2,1H3,(H,24,27)
InChIKeyQQPOIMHFFPBDQM-UHFFFAOYSA-N
MW475.57 g/mol
LogP1.85
Rot. Bonds6

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

N-hydroxy-4-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]sulfonyloxane-4-carboxamide (PubChem CID 46891172) has the molecular formula C23H29N3O6S and a molecular weight of 475.57 g/mol. Its IUPAC name is N-hydroxy-4-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]sulfonyloxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]sulfonyloxane-4-carboxamide
PubChem CID46891172
Molecular FormulaC23H29N3O6S
Molecular Weight475.57 g/mol
Exact Mass475.18
IUPAC NameN-hydroxy-4-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]sulfonyloxane-4-carboxamide
SMILESCOc1ccc(N2CCN(c3ccc(S(=O)(=O)C4(C(=O)NO)CCOCC4)cc3)CC2)cc1
InChIInChI=1S/C23H29N3O6S/c1-31-20-6-2-18(3-7-20)25-12-14-26(15-13-25)19-4-8-21(9-5-19)33(29,30)23(22(27)24-28)10-16-32-17-11-23/h2-9,28H,10-17H2,1H3,(H,24,27)
InChIKeyQQPOIMHFFPBDQM-UHFFFAOYSA-N
XLogP1.85
TPSA108.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]sulfonyloxane-4-carboxamide?
The IUPAC name of N-hydroxy-4-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]sulfonyloxane-4-carboxamide (CID 46891172) is N-hydroxy-4-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]sulfonyloxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]sulfonyloxane-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]sulfonyloxane-4-carboxamide is COc1ccc(N2CCN(c3ccc(S(=O)(=O)C4(C(=O)NO)CCOCC4)cc3)CC2)cc1.
What is the InChIKey of N-hydroxy-4-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]sulfonyloxane-4-carboxamide?
The InChIKey is QQPOIMHFFPBDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O6S/c1-31-20-6-2-18(3-7-20)25-12-14-26(15-13-25)19-4-8-21(9-5-19)33(29,30)23(22(27)24-28)10-16-32-17-11-23/h2-9,28H,10-17H2,1H3,(H,24,27).
What are the key properties of N-hydroxy-4-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]sulfonyloxane-4-carboxamide?
N-hydroxy-4-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]sulfonyloxane-4-carboxamide has a molecular weight of 475.57 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 46891172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).