N-[1-(2-methoxyacetyl)piperidin-4-yl]benzenesulfonamide

C14H20N2O4S — CID 33295550

IUPACN-[1-(2-methoxyacetyl)piperidin-4-yl]benzenesulfonamide
SMILESCOCC(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C14H20N2O4S/c1-20-11-14(17)16-9-7-12(8-10-16)15-21(18,19)13-5-3-2-4-6-13/h2-6,12,15H,7-11H2,1H3
InChIKeyVNOJSZXIJQISPM-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.60
Rot. Bonds5

About N-[1-(2-methoxyacetyl)piperidin-4-yl]benzenesulfonamide

N-[1-(2-methoxyacetyl)piperidin-4-yl]benzenesulfonamide (PubChem CID 33295550) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-[1-(2-methoxyacetyl)piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(2-methoxyacetyl)piperidin-4-yl]benzenesulfonamide
PubChem CID33295550
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-[1-(2-methoxyacetyl)piperidin-4-yl]benzenesulfonamide
SMILESCOCC(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C14H20N2O4S/c1-20-11-14(17)16-9-7-12(8-10-16)15-21(18,19)13-5-3-2-4-6-13/h2-6,12,15H,7-11H2,1H3
InChIKeyVNOJSZXIJQISPM-UHFFFAOYSA-N
XLogP0.60
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(4-bromophenoxy)acetyl]piperidin-4-yl]benzenesulfonamide
CID 33162002
N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]benzenesulfonamide;hydrochloride
CID 120984468
4-ethyl-N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]benzenesulfonamide
CID 108566980
N-[1-(2-methoxyacetyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
CID 108566788
4-methoxy-N-(1-propanoylpiperidin-4-yl)benzenesulfonamide
CID 110819170
N-[1-(2-methoxyacetyl)piperidin-4-yl]piperazine-1-sulfonamide
CID 61254500
N-[1-(4-cyclohexylbutanoyl)piperidin-4-yl]benzenesulfonamide
CID 33163817
N-[1-[2-(2-bromophenyl)acetyl]piperidin-4-yl]-4-methoxybenzenesulfonamide
CID 50823527
N-[(3R)-1-(2-ethoxyacetyl)piperidin-3-yl]benzenesulfonamide
CID 95331654
N-[1-[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]piperidin-4-yl]benzenesulfonamide
CID 33162332
4-tert-butyl-N-[1-(3-phenylpropanoyl)piperidin-4-yl]benzenesulfonamide
CID 108566073
N-[1-[2-(4-methoxyphenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide
CID 55504753

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyacetyl)piperidin-4-yl]benzenesulfonamide?
The IUPAC name of N-[1-(2-methoxyacetyl)piperidin-4-yl]benzenesulfonamide (CID 33295550) is N-[1-(2-methoxyacetyl)piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-(2-methoxyacetyl)piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for N-[1-(2-methoxyacetyl)piperidin-4-yl]benzenesulfonamide is COCC(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-[1-(2-methoxyacetyl)piperidin-4-yl]benzenesulfonamide?
The InChIKey is VNOJSZXIJQISPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-20-11-14(17)16-9-7-12(8-10-16)15-21(18,19)13-5-3-2-4-6-13/h2-6,12,15H,7-11H2,1H3.
What are the key properties of N-[1-(2-methoxyacetyl)piperidin-4-yl]benzenesulfonamide?
N-[1-(2-methoxyacetyl)piperidin-4-yl]benzenesulfonamide has a molecular weight of 312.39 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyacetyl)piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 33295550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).