N-hydroxy-4-[4-[4-(3-methoxyphenyl)piperazin-1-yl]phenyl]sulfonyloxane-4-carboxamide

C23H29N3O6S — CID 46891170

IUPACN-hydroxy-4-[4-[4-(3-methoxyphenyl)piperazin-1-yl]phenyl]sulfonyloxane-4-carboxamide
SMILESCOc1cccc(N2CCN(c3ccc(S(=O)(=O)C4(C(=O)NO)CCOCC4)cc3)CC2)c1
InChIInChI=1S/C23H29N3O6S/c1-31-20-4-2-3-19(17-20)26-13-11-25(12-14-26)18-5-7-21(8-6-18)33(29,30)23(22(27)24-28)9-15-32-16-10-23/h2-8,17,28H,9-16H2,1H3,(H,24,27)
InChIKeyRMMYIAVIROFVLC-UHFFFAOYSA-N
MW475.57 g/mol
LogP1.85
Rot. Bonds6

About N-hydroxy-4-[4-[4-(3-methoxyphenyl)piperazin-1-yl]phenyl]sulfonyloxane-4-carboxamide

N-hydroxy-4-[4-[4-(3-methoxyphenyl)piperazin-1-yl]phenyl]sulfonyloxane-4-carboxamide (PubChem CID 46891170) has the molecular formula C23H29N3O6S and a molecular weight of 475.57 g/mol. Its IUPAC name is N-hydroxy-4-[4-[4-(3-methoxyphenyl)piperazin-1-yl]phenyl]sulfonyloxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-[4-(3-methoxyphenyl)piperazin-1-yl]phenyl]sulfonyloxane-4-carboxamide
PubChem CID46891170
Molecular FormulaC23H29N3O6S
Molecular Weight475.57 g/mol
Exact Mass475.18
IUPAC NameN-hydroxy-4-[4-[4-(3-methoxyphenyl)piperazin-1-yl]phenyl]sulfonyloxane-4-carboxamide
SMILESCOc1cccc(N2CCN(c3ccc(S(=O)(=O)C4(C(=O)NO)CCOCC4)cc3)CC2)c1
InChIInChI=1S/C23H29N3O6S/c1-31-20-4-2-3-19(17-20)26-13-11-25(12-14-26)18-5-7-21(8-6-18)33(29,30)23(22(27)24-28)9-15-32-16-10-23/h2-8,17,28H,9-16H2,1H3,(H,24,27)
InChIKeyRMMYIAVIROFVLC-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': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-hydroxy-4-[4-[4-(3-methoxyphenyl)piperazin-1-yl]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

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-[4-(3-methoxyphenyl)piperazin-1-yl]phenyl]sulfonyloxane-4-carboxamide?
The IUPAC name of N-hydroxy-4-[4-[4-(3-methoxyphenyl)piperazin-1-yl]phenyl]sulfonyloxane-4-carboxamide (CID 46891170) is N-hydroxy-4-[4-[4-(3-methoxyphenyl)piperazin-1-yl]phenyl]sulfonyloxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[4-[4-(3-methoxyphenyl)piperazin-1-yl]phenyl]sulfonyloxane-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[4-[4-(3-methoxyphenyl)piperazin-1-yl]phenyl]sulfonyloxane-4-carboxamide is COc1cccc(N2CCN(c3ccc(S(=O)(=O)C4(C(=O)NO)CCOCC4)cc3)CC2)c1.
What is the InChIKey of N-hydroxy-4-[4-[4-(3-methoxyphenyl)piperazin-1-yl]phenyl]sulfonyloxane-4-carboxamide?
The InChIKey is RMMYIAVIROFVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O6S/c1-31-20-4-2-3-19(17-20)26-13-11-25(12-14-26)18-5-7-21(8-6-18)33(29,30)23(22(27)24-28)9-15-32-16-10-23/h2-8,17,28H,9-16H2,1H3,(H,24,27).
What are the key properties of N-hydroxy-4-[4-[4-(3-methoxyphenyl)piperazin-1-yl]phenyl]sulfonyloxane-4-carboxamide?
N-hydroxy-4-[4-[4-(3-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-(3-methoxyphenyl)piperazin-1-yl]phenyl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 46891170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).