1-(4-butoxyphenyl)sulfonyl-N-hydroxypiperidine-4-carboxamide

C16H24N2O5S — CID 54039969

IUPAC1-(4-butoxyphenyl)sulfonyl-N-hydroxypiperidine-4-carboxamide
SMILESCCCCOc1ccc(S(=O)(=O)N2CCC(C(=O)NO)CC2)cc1
InChIInChI=1S/C16H24N2O5S/c1-2-3-12-23-14-4-6-15(7-5-14)24(21,22)18-10-8-13(9-11-18)16(19)17-20/h4-7,13,20H,2-3,8-12H2,1H3,(H,17,19)
InChIKeyLLPYUUGSWZYYPO-UHFFFAOYSA-N
MW356.44 g/mol
LogP1.77
Rot. Bonds7

About 1-(4-butoxyphenyl)sulfonyl-N-hydroxypiperidine-4-carboxamide

1-(4-butoxyphenyl)sulfonyl-N-hydroxypiperidine-4-carboxamide (PubChem CID 54039969) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is 1-(4-butoxyphenyl)sulfonyl-N-hydroxypiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-butoxyphenyl)sulfonyl-N-hydroxypiperidine-4-carboxamide
PubChem CID54039969
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC Name1-(4-butoxyphenyl)sulfonyl-N-hydroxypiperidine-4-carboxamide
SMILESCCCCOc1ccc(S(=O)(=O)N2CCC(C(=O)NO)CC2)cc1
InChIInChI=1S/C16H24N2O5S/c1-2-3-12-23-14-4-6-15(7-5-14)24(21,22)18-10-8-13(9-11-18)16(19)17-20/h4-7,13,20H,2-3,8-12H2,1H3,(H,17,19)
InChIKeyLLPYUUGSWZYYPO-UHFFFAOYSA-N
XLogP1.77
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-butyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 2188546
1-(4-ethoxyphenyl)sulfonyl-N-pentan-2-ylpiperidine-4-carboxamide
CID 18082324
1-(4-pentoxyphenyl)sulfonylpiperidin-4-amine
CID 119959192
(1S,3R)-2-(4-butoxyphenyl)sulfonyl-N-hydroxy-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 89372918
N-(3-butoxypropyl)-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 27682716
1-(6-butoxynaphthalen-2-yl)sulfonylpiperidine-4-carboxamide
CID 43845691
N-(3-aminopropyl)-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119404891
1-(benzenesulfonyl)-N-(3-phenoxypropyl)piperidine-4-carboxamide
CID 17478459
N-methyl-1-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]methanamine
CID 119978174
1-(4-ethoxyphenyl)sulfonyl-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide
CID 99967818
1-(4-propoxyphenyl)sulfonylpyrrolidine
CID 60755176
N-(2-butoxy-5-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 55675300

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxyphenyl)sulfonyl-N-hydroxypiperidine-4-carboxamide?
The IUPAC name of 1-(4-butoxyphenyl)sulfonyl-N-hydroxypiperidine-4-carboxamide (CID 54039969) is 1-(4-butoxyphenyl)sulfonyl-N-hydroxypiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-butoxyphenyl)sulfonyl-N-hydroxypiperidine-4-carboxamide?
The canonical SMILES for 1-(4-butoxyphenyl)sulfonyl-N-hydroxypiperidine-4-carboxamide is CCCCOc1ccc(S(=O)(=O)N2CCC(C(=O)NO)CC2)cc1.
What is the InChIKey of 1-(4-butoxyphenyl)sulfonyl-N-hydroxypiperidine-4-carboxamide?
The InChIKey is LLPYUUGSWZYYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-2-3-12-23-14-4-6-15(7-5-14)24(21,22)18-10-8-13(9-11-18)16(19)17-20/h4-7,13,20H,2-3,8-12H2,1H3,(H,17,19).
What are the key properties of 1-(4-butoxyphenyl)sulfonyl-N-hydroxypiperidine-4-carboxamide?
1-(4-butoxyphenyl)sulfonyl-N-hydroxypiperidine-4-carboxamide has a molecular weight of 356.44 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxyphenyl)sulfonyl-N-hydroxypiperidine-4-carboxamide is sourced from PubChem (CID 54039969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).