3-acetyl-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide

C18H28N2O3S — CID 110402958

IUPAC3-acetyl-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCC(C(C)C)N2CCCCC2)c1
InChIInChI=1S/C18H28N2O3S/c1-14(2)18(20-10-5-4-6-11-20)13-19-24(22,23)17-9-7-8-16(12-17)15(3)21/h7-9,12,14,18-19H,4-6,10-11,13H2,1-3H3
InChIKeyRCMKGMNCJLIXJK-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.68
Rot. Bonds7

About 3-acetyl-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide

3-acetyl-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide (PubChem CID 110402958) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is 3-acetyl-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide
PubChem CID110402958
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC Name3-acetyl-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCC(C(C)C)N2CCCCC2)c1
InChIInChI=1S/C18H28N2O3S/c1-14(2)18(20-10-5-4-6-11-20)13-19-24(22,23)17-9-7-8-16(12-17)15(3)21/h7-9,12,14,18-19H,4-6,10-11,13H2,1-3H3
InChIKeyRCMKGMNCJLIXJK-UHFFFAOYSA-N
XLogP2.68
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 78966562
3-acetyl-N-(2-cyclohexyl-2-hydroxyethyl)benzenesulfonamide
CID 90498860
3,4-dimethoxy-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide
CID 110402917
4-fluoro-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide
CID 110402904
4-ethyl-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide
CID 110402911
3-methyl-N-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
CID 94249189
3-acetyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 78774480
3-acetyl-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 65109388
3-chloro-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzenesulfonamide
CID 32683344
3-acetyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 17435348
5-[(3-acetylphenyl)sulfonylamino]-4-methylpentanoic acid
CID 82013121
3-acetyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 51097875

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide?
The IUPAC name of 3-acetyl-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide (CID 110402958) is 3-acetyl-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)NCC(C(C)C)N2CCCCC2)c1.
What is the InChIKey of 3-acetyl-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide?
The InChIKey is RCMKGMNCJLIXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-14(2)18(20-10-5-4-6-11-20)13-19-24(22,23)17-9-7-8-16(12-17)15(3)21/h7-9,12,14,18-19H,4-6,10-11,13H2,1-3H3.
What are the key properties of 3-acetyl-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide?
3-acetyl-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide has a molecular weight of 352.50 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide is sourced from PubChem (CID 110402958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).