4-methoxy-2-methyl-N-(1-propanoylpiperidin-4-yl)benzenesulfonamide

C16H24N2O4S — CID 110819180

IUPAC4-methoxy-2-methyl-N-(1-propanoylpiperidin-4-yl)benzenesulfonamide
SMILESCCC(=O)N1CCC(NS(=O)(=O)c2ccc(OC)cc2C)CC1
InChIInChI=1S/C16H24N2O4S/c1-4-16(19)18-9-7-13(8-10-18)17-23(20,21)15-6-5-14(22-3)11-12(15)2/h5-6,11,13,17H,4,7-10H2,1-3H3
InChIKeyDJHPORKNMHOXKD-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.68
Rot. Bonds5

About 4-methoxy-2-methyl-N-(1-propanoylpiperidin-4-yl)benzenesulfonamide

4-methoxy-2-methyl-N-(1-propanoylpiperidin-4-yl)benzenesulfonamide (PubChem CID 110819180) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-(1-propanoylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2-methyl-N-(1-propanoylpiperidin-4-yl)benzenesulfonamide
PubChem CID110819180
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Name4-methoxy-2-methyl-N-(1-propanoylpiperidin-4-yl)benzenesulfonamide
SMILESCCC(=O)N1CCC(NS(=O)(=O)c2ccc(OC)cc2C)CC1
InChIInChI=1S/C16H24N2O4S/c1-4-16(19)18-9-7-13(8-10-18)17-23(20,21)15-6-5-14(22-3)11-12(15)2/h5-6,11,13,17H,4,7-10H2,1-3H3
InChIKeyDJHPORKNMHOXKD-UHFFFAOYSA-N
XLogP1.68
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-(1-propanoylpiperidin-4-yl)benzenesulfonamide
CID 110819170
4-methoxy-2-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 110736336
ethyl 4-[(2,5-dimethoxyphenyl)sulfonylamino]piperidine-1-carboxylate
CID 32944673
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
CID 108566445
N-[1-(2-methoxyacetyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
CID 108566788
methyl 4-[(2,4-dimethylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 110821783
ethyl 4-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 35308238
4-methoxy-2-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 110712501
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 108564642
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
CID 108566141
4-[[4-methoxy-2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate
CID 154237982
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-2,5-dimethylbenzenesulfonamide
CID 108563470

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-(1-propanoylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 4-methoxy-2-methyl-N-(1-propanoylpiperidin-4-yl)benzenesulfonamide (CID 110819180) is 4-methoxy-2-methyl-N-(1-propanoylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2-methyl-N-(1-propanoylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-2-methyl-N-(1-propanoylpiperidin-4-yl)benzenesulfonamide is CCC(=O)N1CCC(NS(=O)(=O)c2ccc(OC)cc2C)CC1.
What is the InChIKey of 4-methoxy-2-methyl-N-(1-propanoylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is DJHPORKNMHOXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-4-16(19)18-9-7-13(8-10-18)17-23(20,21)15-6-5-14(22-3)11-12(15)2/h5-6,11,13,17H,4,7-10H2,1-3H3.
What are the key properties of 4-methoxy-2-methyl-N-(1-propanoylpiperidin-4-yl)benzenesulfonamide?
4-methoxy-2-methyl-N-(1-propanoylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 340.45 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-N-(1-propanoylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 110819180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).