4-methoxy-N-(1-propanoylpiperidin-4-yl)benzenesulfonamide

C15H22N2O4S — CID 110819170

IUPAC4-methoxy-N-(1-propanoylpiperidin-4-yl)benzenesulfonamide
SMILESCCC(=O)N1CCC(NS(=O)(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C15H22N2O4S/c1-3-15(18)17-10-8-12(9-11-17)16-22(19,20)14-6-4-13(21-2)5-7-14/h4-7,12,16H,3,8-11H2,1-2H3
InChIKeyMVPBHRUBTKDPEH-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.37
Rot. Bonds5

About 4-methoxy-N-(1-propanoylpiperidin-4-yl)benzenesulfonamide

4-methoxy-N-(1-propanoylpiperidin-4-yl)benzenesulfonamide (PubChem CID 110819170) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 4-methoxy-N-(1-propanoylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(1-propanoylpiperidin-4-yl)benzenesulfonamide
PubChem CID110819170
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name4-methoxy-N-(1-propanoylpiperidin-4-yl)benzenesulfonamide
SMILESCCC(=O)N1CCC(NS(=O)(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C15H22N2O4S/c1-3-15(18)17-10-8-12(9-11-17)16-22(19,20)14-6-4-13(21-2)5-7-14/h4-7,12,16H,3,8-11H2,1-2H3
InChIKeyMVPBHRUBTKDPEH-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methoxybenzenesulfonamide
CID 50823745
N-[1-[2-(2-bromophenyl)acetyl]piperidin-4-yl]-4-methoxybenzenesulfonamide
CID 50823527
4-methoxy-2-methyl-N-(1-propanoylpiperidin-4-yl)benzenesulfonamide
CID 110819180
4-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60808728
N-[4-[[1-(4-methoxybenzoyl)piperidin-4-yl]sulfamoyl]phenyl]acetamide
CID 108563478
N-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]-4-methoxybenzenesulfonamide
CID 50823683
4-methoxy-N-[1-(2-phenoxypropanoyl)piperidin-4-yl]benzenesulfonamide
CID 50823767
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-4-nitrobenzenesulfonamide
CID 108563476
4-methoxy-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide
CID 50823789
N-[1-(2-methoxyacetyl)piperidin-4-yl]benzenesulfonamide
CID 33295550
4-chloro-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]benzenesulfonamide
CID 108565571
3-[(4-methoxyphenyl)sulfonylamino]azetidine-1-carboxamide
CID 146023038

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(1-propanoylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(1-propanoylpiperidin-4-yl)benzenesulfonamide (CID 110819170) is 4-methoxy-N-(1-propanoylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(1-propanoylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(1-propanoylpiperidin-4-yl)benzenesulfonamide is CCC(=O)N1CCC(NS(=O)(=O)c2ccc(OC)cc2)CC1.
What is the InChIKey of 4-methoxy-N-(1-propanoylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is MVPBHRUBTKDPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-3-15(18)17-10-8-12(9-11-17)16-22(19,20)14-6-4-13(21-2)5-7-14/h4-7,12,16H,3,8-11H2,1-2H3.
What are the key properties of 4-methoxy-N-(1-propanoylpiperidin-4-yl)benzenesulfonamide?
4-methoxy-N-(1-propanoylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 326.42 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(1-propanoylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 110819170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).