N-hydroxy-5-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-2-methylbenzenesulfonamide

C15H22N2O5S — CID 143783654

IUPACN-hydroxy-5-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(C(=O)N2CCC(CCO)CC2)cc1S(=O)(=O)NO
InChIInChI=1S/C15H22N2O5S/c1-11-2-3-13(10-14(11)23(21,22)16-20)15(19)17-7-4-12(5-8-17)6-9-18/h2-3,10,12,16,18,20H,4-9H2,1H3
InChIKeyGXSVQPWKXPADLL-UHFFFAOYSA-N
MW342.42 g/mol
LogP0.90
Rot. Bonds5

About N-hydroxy-5-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-2-methylbenzenesulfonamide

N-hydroxy-5-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-2-methylbenzenesulfonamide (PubChem CID 143783654) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-hydroxy-5-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-hydroxy-5-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-2-methylbenzenesulfonamide
PubChem CID143783654
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN-hydroxy-5-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(C(=O)N2CCC(CCO)CC2)cc1S(=O)(=O)NO
InChIInChI=1S/C15H22N2O5S/c1-11-2-3-13(10-14(11)23(21,22)16-20)15(19)17-7-4-12(5-8-17)6-9-18/h2-3,10,12,16,18,20H,4-9H2,1H3
InChIKeyGXSVQPWKXPADLL-UHFFFAOYSA-N
XLogP0.90
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-2-methyl-5-[4-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 119544817
5-(4-ethylpiperidine-1-carbonyl)-2-methylbenzenesulfonyl chloride
CID 65371176
5-(3,5-dimethylpiperazine-1-carbonyl)-N-hydroxy-2-methylbenzenesulfonamide
CID 126516403
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-2-methylbenzenesulfonamide
CID 53103847
5-(4-aminopiperidine-1-carbonyl)-N-(4-fluorophenyl)-2-methylbenzenesulfonamide
CID 119376231
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 115746621
N,N-diethyl-2-methyl-5-[4-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119546294
(3-bromo-4-methylphenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 81476430
[4-(methylamino)piperidin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
CID 119563638
tert-butyl N-[1-[3-(benzylsulfamoyl)-4-methylbenzoyl]piperidin-4-yl]carbamate
CID 55736695
N,N-diethyl-2-methyl-5-[4-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 119563375
N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-2,4-dimethylbenzenesulfonamide
CID 53103758

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-5-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-2-methylbenzenesulfonamide?
The IUPAC name of N-hydroxy-5-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-2-methylbenzenesulfonamide (CID 143783654) is N-hydroxy-5-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-hydroxy-5-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-2-methylbenzenesulfonamide?
The canonical SMILES for N-hydroxy-5-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-2-methylbenzenesulfonamide is Cc1ccc(C(=O)N2CCC(CCO)CC2)cc1S(=O)(=O)NO.
What is the InChIKey of N-hydroxy-5-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-2-methylbenzenesulfonamide?
The InChIKey is GXSVQPWKXPADLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-11-2-3-13(10-14(11)23(21,22)16-20)15(19)17-7-4-12(5-8-17)6-9-18/h2-3,10,12,16,18,20H,4-9H2,1H3.
What are the key properties of N-hydroxy-5-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-2-methylbenzenesulfonamide?
N-hydroxy-5-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-2-methylbenzenesulfonamide has a molecular weight of 342.42 g/mol, XLogP of 0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-[4-(2-hydroxyethyl)piperidine-1-carbonyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 143783654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).