4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide

C21H23ClN2O5S — CID 45484023

IUPAC4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCN(C2CC2)CC1
InChIInChI=1S/C21H23ClN2O5S/c22-15-1-5-17(6-2-15)29-18-7-9-19(10-8-18)30(27,28)21(20(25)23-26)11-13-24(14-12-21)16-3-4-16/h1-2,5-10,16,26H,3-4,11-14H2,(H,23,25)
InChIKeyUFDRBHXMFJJJFE-UHFFFAOYSA-N
MW450.94 g/mol
LogP3.41
Rot. Bonds6

About 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide

4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide (PubChem CID 45484023) has the molecular formula C21H23ClN2O5S and a molecular weight of 450.94 g/mol. Its IUPAC name is 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide.

Molecular Properties

Compound Name4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide
PubChem CID45484023
Molecular FormulaC21H23ClN2O5S
Molecular Weight450.94 g/mol
Exact Mass450.10
IUPAC Name4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCN(C2CC2)CC1
InChIInChI=1S/C21H23ClN2O5S/c22-15-1-5-17(6-2-15)29-18-7-9-19(10-8-18)30(27,28)21(20(25)23-26)11-13-24(14-12-21)16-3-4-16/h1-2,5-10,16,26H,3-4,11-14H2,(H,23,25)
InChIKeyUFDRBHXMFJJJFE-UHFFFAOYSA-N
XLogP3.41
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.94
LogP ≤ 53.41
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 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide?
The IUPAC name of 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide (CID 45484023) is 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide.
What is the SMILES notation for 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide?
The canonical SMILES for 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide is O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCN(C2CC2)CC1.
What is the InChIKey of 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide?
The InChIKey is UFDRBHXMFJJJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O5S/c22-15-1-5-17(6-2-15)29-18-7-9-19(10-8-18)30(27,28)21(20(25)23-26)11-13-24(14-12-21)16-3-4-16/h1-2,5-10,16,26H,3-4,11-14H2,(H,23,25).
What are the key properties of 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide?
4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide has a molecular weight of 450.94 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-cyclopropyl-N-hydroxypiperidine-4-carboxamide is sourced from PubChem (CID 45484023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).