1-cyclopropyl-N-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide

C21H24N2O5S — CID 11719409

IUPAC1-cyclopropyl-N-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCN(C2CC2)CC1
InChIInChI=1S/C21H24N2O5S/c24-20(22-25)21(12-14-23(15-13-21)16-6-7-16)29(26,27)19-10-8-18(9-11-19)28-17-4-2-1-3-5-17/h1-5,8-11,16,25H,6-7,12-15H2,(H,22,24)
InChIKeyYLRBOIVJMWEGGX-UHFFFAOYSA-N
MW416.50 g/mol
LogP2.76
Rot. Bonds6

About 1-cyclopropyl-N-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide

1-cyclopropyl-N-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 11719409) has the molecular formula C21H24N2O5S and a molecular weight of 416.50 g/mol. Its IUPAC name is 1-cyclopropyl-N-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID11719409
Molecular FormulaC21H24N2O5S
Molecular Weight416.50 g/mol
Exact Mass416.14
IUPAC Name1-cyclopropyl-N-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCN(C2CC2)CC1
InChIInChI=1S/C21H24N2O5S/c24-20(22-25)21(12-14-23(15-13-21)16-6-7-16)29(26,27)19-10-8-18(9-11-19)28-17-4-2-1-3-5-17/h1-5,8-11,16,25H,6-7,12-15H2,(H,22,24)
InChIKeyYLRBOIVJMWEGGX-UHFFFAOYSA-N
XLogP2.76
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 52.76
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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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-cyclopropyl-N-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide (CID 11719409) is 1-cyclopropyl-N-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide is O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCN(C2CC2)CC1.
What is the InChIKey of 1-cyclopropyl-N-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is YLRBOIVJMWEGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5S/c24-20(22-25)21(12-14-23(15-13-21)16-6-7-16)29(26,27)19-10-8-18(9-11-19)28-17-4-2-1-3-5-17/h1-5,8-11,16,25H,6-7,12-15H2,(H,22,24).
What are the key properties of 1-cyclopropyl-N-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide?
1-cyclopropyl-N-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 416.50 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-hydroxy-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 11719409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).