N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]methanesulfonamide

C13H18N2O5S — CID 108567177

IUPACN-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(C(=O)c2cc(O)cc(O)c2)CC1
InChIInChI=1S/C13H18N2O5S/c1-21(19,20)14-10-2-4-15(5-3-10)13(18)9-6-11(16)8-12(17)7-9/h6-8,10,14,16-17H,2-5H2,1H3
InChIKeyYBRVNAFNQASVBM-UHFFFAOYSA-N
MW314.36 g/mol
LogP0.25
Rot. Bonds3

About N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]methanesulfonamide

N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]methanesulfonamide (PubChem CID 108567177) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]methanesulfonamide
PubChem CID108567177
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC NameN-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(C(=O)c2cc(O)cc(O)c2)CC1
InChIInChI=1S/C13H18N2O5S/c1-21(19,20)14-10-2-4-15(5-3-10)13(18)9-6-11(16)8-12(17)7-9/h6-8,10,14,16-17H,2-5H2,1H3
InChIKeyYBRVNAFNQASVBM-UHFFFAOYSA-N
XLogP0.25
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]methanesulfonamide
CID 108564444
N-[1-[6-(4-hydroxyphenyl)naphthalene-2-carbonyl]piperidin-4-yl]methanesulfonamide
CID 172672030
N-[1-(5-fluoropyridine-3-carbonyl)piperidin-4-yl]methanesulfonamide
CID 91829899
N-[1-(4-fluoro-3-methylbenzoyl)piperidin-4-yl]methanesulfonamide
CID 63212360
N-[1-[4-(2-hydroxyphenyl)benzoyl]piperidin-4-yl]methanesulfonamide
CID 118767374
N-[1-[3-(4-methylphenyl)benzoyl]piperidin-4-yl]methanesulfonamide
CID 118768764
(3,5-dihydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 113355600
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-3,4-dimethylbenzamide
CID 108557638
N-[1-(4,5-dibromothiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide
CID 112723098
N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558147
(3,5-dihydroxyphenyl)-pyrrolidin-1-ylmethanone
CID 103891305
N-[1-(2-bromo-5-fluorobenzoyl)piperidin-4-yl]methanesulfonamide
CID 60706031

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]methanesulfonamide (CID 108567177) is N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]methanesulfonamide is CS(=O)(=O)NC1CCN(C(=O)c2cc(O)cc(O)c2)CC1.
What is the InChIKey of N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]methanesulfonamide?
The InChIKey is YBRVNAFNQASVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S/c1-21(19,20)14-10-2-4-15(5-3-10)13(18)9-6-11(16)8-12(17)7-9/h6-8,10,14,16-17H,2-5H2,1H3.
What are the key properties of N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]methanesulfonamide?
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]methanesulfonamide has a molecular weight of 314.36 g/mol, XLogP of 0.25, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 108567177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).