2-methyl-N-(1-pentanoylpiperidin-4-yl)benzenesulfonamide

C17H26N2O3S — CID 110819574

IUPAC2-methyl-N-(1-pentanoylpiperidin-4-yl)benzenesulfonamide
SMILESCCCCC(=O)N1CCC(NS(=O)(=O)c2ccccc2C)CC1
InChIInChI=1S/C17H26N2O3S/c1-3-4-9-17(20)19-12-10-15(11-13-19)18-23(21,22)16-8-6-5-7-14(16)2/h5-8,15,18H,3-4,9-13H2,1-2H3
InChIKeyHJYXVCROYQOTGK-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.45
Rot. Bonds6

About 2-methyl-N-(1-pentanoylpiperidin-4-yl)benzenesulfonamide

2-methyl-N-(1-pentanoylpiperidin-4-yl)benzenesulfonamide (PubChem CID 110819574) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 2-methyl-N-(1-pentanoylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-(1-pentanoylpiperidin-4-yl)benzenesulfonamide
PubChem CID110819574
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name2-methyl-N-(1-pentanoylpiperidin-4-yl)benzenesulfonamide
SMILESCCCCC(=O)N1CCC(NS(=O)(=O)c2ccccc2C)CC1
InChIInChI=1S/C17H26N2O3S/c1-3-4-9-17(20)19-12-10-15(11-13-19)18-23(21,22)16-8-6-5-7-14(16)2/h5-8,15,18H,3-4,9-13H2,1-2H3
InChIKeyHJYXVCROYQOTGK-UHFFFAOYSA-N
XLogP2.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(2-methylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 110821806
4-chloro-N-(1-pentanoylpiperidin-4-yl)benzenesulfonamide
CID 108566133
2,5-dimethyl-N-[1-(4-phenoxybutanoyl)piperidin-4-yl]benzenesulfonamide
CID 108565409
N-(1-pentanoylpiperidin-4-yl)propane-1-sulfonamide
CID 110819565
5-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalene-1-carboxylic acid
CID 69009615
2,5-dimethyl-N-[1-(3-phenylpropanoyl)piperidin-4-yl]benzenesulfonamide
CID 108566075
4-methyl-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzenesulfonamide
CID 108565478
5-[(1-butanoylpiperidin-4-yl)sulfamoyl]-N-(2,3-dimethylphenyl)naphthalene-1-carboxamide
CID 59717992
N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]-4-methylbenzenesulfonamide
CID 108565354
N-[1-(3-phenylpropanoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108566076
6-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-6-oxohexanoic acid
CID 139613522
4-methoxy-2-methyl-N-(1-propanoylpiperidin-4-yl)benzenesulfonamide
CID 110819180

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-pentanoylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 2-methyl-N-(1-pentanoylpiperidin-4-yl)benzenesulfonamide (CID 110819574) is 2-methyl-N-(1-pentanoylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-(1-pentanoylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 2-methyl-N-(1-pentanoylpiperidin-4-yl)benzenesulfonamide is CCCCC(=O)N1CCC(NS(=O)(=O)c2ccccc2C)CC1.
What is the InChIKey of 2-methyl-N-(1-pentanoylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is HJYXVCROYQOTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-3-4-9-17(20)19-12-10-15(11-13-19)18-23(21,22)16-8-6-5-7-14(16)2/h5-8,15,18H,3-4,9-13H2,1-2H3.
What are the key properties of 2-methyl-N-(1-pentanoylpiperidin-4-yl)benzenesulfonamide?
2-methyl-N-(1-pentanoylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 338.47 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-pentanoylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 110819574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).