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

C18H19ClN2O5S — CID 10938505

IUPAC4-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCNCC1
InChIInChI=1S/C18H19ClN2O5S/c19-13-1-3-14(4-2-13)26-15-5-7-16(8-6-15)27(24,25)18(17(22)21-23)9-11-20-12-10-18/h1-8,20,23H,9-12H2,(H,21,22)
InChIKeyHHLQXXSIVVEBOY-UHFFFAOYSA-N
MW410.88 g/mol
LogP2.53
Rot. Bonds5

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

4-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide (PubChem CID 10938505) has the molecular formula C18H19ClN2O5S and a molecular weight of 410.88 g/mol. Its IUPAC name is 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide.

Molecular Properties

Compound Name4-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide
PubChem CID10938505
Molecular FormulaC18H19ClN2O5S
Molecular Weight410.88 g/mol
Exact Mass410.07
IUPAC Name4-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCNCC1
InChIInChI=1S/C18H19ClN2O5S/c19-13-1-3-14(4-2-13)26-15-5-7-16(8-6-15)27(24,25)18(17(22)21-23)9-11-20-12-10-18/h1-8,20,23H,9-12H2,(H,21,22)
InChIKeyHHLQXXSIVVEBOY-UHFFFAOYSA-N
XLogP2.53
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.88
LogP ≤ 52.53
H-Bond Donors ≤ 53
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-N-hydroxypiperidine-4-carboxamide?
The IUPAC name of 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide (CID 10938505) is 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide.
What is the SMILES notation for 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide?
The canonical SMILES for 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide is O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCNCC1.
What is the InChIKey of 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide?
The InChIKey is HHLQXXSIVVEBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O5S/c19-13-1-3-14(4-2-13)26-15-5-7-16(8-6-15)27(24,25)18(17(22)21-23)9-11-20-12-10-18/h1-8,20,23H,9-12H2,(H,21,22).
What are the key properties of 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide?
4-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide has a molecular weight of 410.88 g/mol, XLogP of 2.53, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide is sourced from PubChem (CID 10938505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).