N-[(1-acetylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide

C15H22N2O4S — CID 110736220

IUPACN-[(1-acetylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C15H22N2O4S/c1-12(18)17-9-7-13(8-10-17)11-16-22(19,20)15-5-3-14(21-2)4-6-15/h3-6,13,16H,7-11H2,1-2H3
InChIKeyXNQJDIRIUHBZKX-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.23
Rot. Bonds5

About N-[(1-acetylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide

N-[(1-acetylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide (PubChem CID 110736220) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[(1-acetylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(1-acetylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide
PubChem CID110736220
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC NameN-[(1-acetylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C15H22N2O4S/c1-12(18)17-9-7-13(8-10-17)11-16-22(19,20)15-5-3-14(21-2)4-6-15/h3-6,13,16H,7-11H2,1-2H3
InChIKeyXNQJDIRIUHBZKX-UHFFFAOYSA-N
XLogP1.23
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-[(1-acetylpiperidin-4-yl)methylsulfamoyl]phenyl]phenyl]acetamide
CID 166195615
N-[(1-acetylpiperidin-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 110736227
4-methoxy-N-[[(3R)-1-(2-pyrrolidin-1-ylacetyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 26333357
4-methoxy-N-[[(3S)-1-(2-piperidin-1-ylacetyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 42460993
4-methoxy-N-[[(3R)-1-(oxane-4-carbonyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 26391154
4-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563364
N-[[(3R)-1-(cyclohexene-1-carbonyl)piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide
CID 26322895
4-methoxy-N-[[1-(2-phenylsulfanylacetyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 45203635
N-[[1-(3,5-dimethylfuran-2-carbonyl)piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide
CID 45229284
4-methoxy-N-[[(3S)-1-(3-phenylprop-2-ynoyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 42288519
N-[[(3S)-1-(3,5-dimethylfuran-2-carbonyl)piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide
CID 26321541
N-[[(3R)-1-cycloheptylpiperidin-3-yl]methyl]-4-methoxybenzenesulfonamide
CID 25458978

Frequently Asked Questions

What is the IUPAC name of N-[(1-acetylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[(1-acetylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide (CID 110736220) is N-[(1-acetylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(1-acetylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[(1-acetylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCC2CCN(C(C)=O)CC2)cc1.
What is the InChIKey of N-[(1-acetylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide?
The InChIKey is XNQJDIRIUHBZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-12(18)17-9-7-13(8-10-17)11-16-22(19,20)15-5-3-14(21-2)4-6-15/h3-6,13,16H,7-11H2,1-2H3.
What are the key properties of N-[(1-acetylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide?
N-[(1-acetylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide has a molecular weight of 326.42 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-acetylpiperidin-4-yl)methyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 110736220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).