4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxypiperidine-4-carboxamide

C16H20N2O5S — CID 10134897

IUPAC4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxypiperidine-4-carboxamide
SMILESCC#CCOc1ccc(S(=O)(=O)C2(C(=O)NO)CCNCC2)cc1
InChIInChI=1S/C16H20N2O5S/c1-2-3-12-23-13-4-6-14(7-5-13)24(21,22)16(15(19)18-20)8-10-17-11-9-16/h4-7,17,20H,8-12H2,1H3,(H,18,19)
InChIKeyPVOQKYVUWAHQSO-UHFFFAOYSA-N
MW352.41 g/mol
LogP0.49
Rot. Bonds5

About 4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxypiperidine-4-carboxamide

4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxypiperidine-4-carboxamide (PubChem CID 10134897) has the molecular formula C16H20N2O5S and a molecular weight of 352.41 g/mol. Its IUPAC name is 4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxypiperidine-4-carboxamide.

Molecular Properties

Compound Name4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxypiperidine-4-carboxamide
PubChem CID10134897
Molecular FormulaC16H20N2O5S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC Name4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxypiperidine-4-carboxamide
SMILESCC#CCOc1ccc(S(=O)(=O)C2(C(=O)NO)CCNCC2)cc1
InChIInChI=1S/C16H20N2O5S/c1-2-3-12-23-13-4-6-14(7-5-13)24(21,22)16(15(19)18-20)8-10-17-11-9-16/h4-7,17,20H,8-12H2,1H3,(H,18,19)
InChIKeyPVOQKYVUWAHQSO-UHFFFAOYSA-N
XLogP0.49
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 50.49
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxypiperidine-4-carboxamide?
The IUPAC name of 4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxypiperidine-4-carboxamide (CID 10134897) is 4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxypiperidine-4-carboxamide.
What is the SMILES notation for 4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxypiperidine-4-carboxamide?
The canonical SMILES for 4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxypiperidine-4-carboxamide is CC#CCOc1ccc(S(=O)(=O)C2(C(=O)NO)CCNCC2)cc1.
What is the InChIKey of 4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxypiperidine-4-carboxamide?
The InChIKey is PVOQKYVUWAHQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5S/c1-2-3-12-23-13-4-6-14(7-5-13)24(21,22)16(15(19)18-20)8-10-17-11-9-16/h4-7,17,20H,8-12H2,1H3,(H,18,19).
What are the key properties of 4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxypiperidine-4-carboxamide?
4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxypiperidine-4-carboxamide has a molecular weight of 352.41 g/mol, XLogP of 0.49, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxypiperidine-4-carboxamide is sourced from PubChem (CID 10134897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).