N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperidine-2-carboxamide

C13H18N2O5S — CID 10829071

IUPACN-hydroxy-1-(4-methoxyphenyl)sulfonylpiperidine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2C(=O)NO)cc1
InChIInChI=1S/C13H18N2O5S/c1-20-10-5-7-11(8-6-10)21(18,19)15-9-3-2-4-12(15)13(16)14-17/h5-8,12,17H,2-4,9H2,1H3,(H,14,16)
InChIKeyWFVYENBQHIIIQE-UHFFFAOYSA-N
MW314.36 g/mol
LogP0.74
Rot. Bonds4

About N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperidine-2-carboxamide

N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperidine-2-carboxamide (PubChem CID 10829071) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1-(4-methoxyphenyl)sulfonylpiperidine-2-carboxamide
PubChem CID10829071
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC NameN-hydroxy-1-(4-methoxyphenyl)sulfonylpiperidine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2C(=O)NO)cc1
InChIInChI=1S/C13H18N2O5S/c1-20-10-5-7-11(8-6-10)21(18,19)15-9-3-2-4-12(15)13(16)14-17/h5-8,12,17H,2-4,9H2,1H3,(H,14,16)
InChIKeyWFVYENBQHIIIQE-UHFFFAOYSA-N
XLogP0.74
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

Apratastat
CID 11452716
N-isobutyl-N-(4-methoxyphenylsulfonyl)glycyl hydroxamic acid
CID 448002
(1n)-4-N-Butoxyphenylsulfonyl-(2r)-N-Hydroxycarboxamido-(4s)-Methanesulfonylamino-Pyrrolidine
CID 5287415
N-Hydroxy-4-((4-Methoxylphenyl)Sulfonyl)-2,2-Dimethyl-Hexahydro-1,4-Thiazepine-3(S)-Carboxamide
CID 5288814
Mmp inhibitor II
CID 4218
(3S)-4-{[4-(But-2-ynyloxy)phenyl]sulfonyl}-N-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide
CID 5288615
N-hydroxy-N~2~-(2-hydroxyethyl)-N~2~-[(4-methoxyphenyl)sulfonyl]glycinamide
CID 46829322
4-((4-((4-Aminobut-2-ynyl)oxy)phenyl)sulfonyl)-N-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide
CID 6102708
(2R)-N-Hydroxy-2-[[(4-methoxyphenyl)sulfonyl]amino]-3-methylbutanamide
CID 6539651
Hydroxamate 21
CID 6916013
(R)-2-(N-Benzyl-4-methoxyphenylsulfonamido)-N-hydroxy-3-methylbutanamide
CID 9821883
2-{[4-(but-2-yn-1-yloxy)benzene](methyl)sulfonamido}-N-hydroxyacetamide
CID 9948666

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperidine-2-carboxamide?
The IUPAC name of N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperidine-2-carboxamide (CID 10829071) is N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperidine-2-carboxamide.
What is the SMILES notation for N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperidine-2-carboxamide?
The canonical SMILES for N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperidine-2-carboxamide is COc1ccc(S(=O)(=O)N2CCCCC2C(=O)NO)cc1.
What is the InChIKey of N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperidine-2-carboxamide?
The InChIKey is WFVYENBQHIIIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S/c1-20-10-5-7-11(8-6-10)21(18,19)15-9-3-2-4-12(15)13(16)14-17/h5-8,12,17H,2-4,9H2,1H3,(H,14,16).
What are the key properties of N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperidine-2-carboxamide?
N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperidine-2-carboxamide has a molecular weight of 314.36 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-(4-methoxyphenyl)sulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 10829071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).