2-fluoro-N-(3-methoxypropyl)-4-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide

C17H27FN2O3S — CID 70733213

IUPAC2-fluoro-N-(3-methoxypropyl)-4-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
SMILESCOCCCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(C)cc1F
InChIInChI=1S/C17H27FN2O3S/c1-14-5-6-17(16(18)13-14)24(21,22)20(9-4-12-23-3)15-7-10-19(2)11-8-15/h5-6,13,15H,4,7-12H2,1-3H3
InChIKeyURTRIIDOFIPLQW-UHFFFAOYSA-N
MW358.48 g/mol
LogP2.26
Rot. Bonds7

About 2-fluoro-N-(3-methoxypropyl)-4-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide

2-fluoro-N-(3-methoxypropyl)-4-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide (PubChem CID 70733213) has the molecular formula C17H27FN2O3S and a molecular weight of 358.48 g/mol. Its IUPAC name is 2-fluoro-N-(3-methoxypropyl)-4-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(3-methoxypropyl)-4-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
PubChem CID70733213
Molecular FormulaC17H27FN2O3S
Molecular Weight358.48 g/mol
Exact Mass358.17
IUPAC Name2-fluoro-N-(3-methoxypropyl)-4-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
SMILESCOCCCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(C)cc1F
InChIInChI=1S/C17H27FN2O3S/c1-14-5-6-17(16(18)13-14)24(21,22)20(9-4-12-23-3)15-7-10-19(2)11-8-15/h5-6,13,15H,4,7-12H2,1-3H3
InChIKeyURTRIIDOFIPLQW-UHFFFAOYSA-N
XLogP2.26
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Piperidine, 1-(p-tolylsulfonyl)-
CID 78431
N,3-Dimethyl-N-((1R)-1-methyl-3-(4-methyl-1-piperidinyl)propyl)benzenesulfonamide
CID 5312148
4-Methyl-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperidine
CID 2911561
3-(Toluene-4-sulfonyl)-[1,3]oxazinane
CID 959536
4-Methyl-1'-(4-trifluoromethyl-benzenesulfonyl)-[1,4']bipiperidinyl
CID 1433359
1-(4-Methyl benzene)-sulfonyl-cis-2,6-dimethylpiperidine
CID 27764355
4-ethyl-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 57393432
3-(1-(Mesitylsulfonyl)piperidin-4-yl)-6-methyl-1,3-oxazinane
CID 118308349
1-[1-[4-(2-Fluorophenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 118314270
1-[1-(4-Methylphenyl)sulfonylpiperidin-4-yl]azepane
CID 660376
4-tert-butyl-N-methyl-N-(1-methylpiperidin-4-yl)benzene-1-sulfonamide
CID 2407992
N,4-dimethyl-N-(1-methylpiperidin-4-yl)benzene-1-sulfonamide
CID 2444416

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-methoxypropyl)-4-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-(3-methoxypropyl)-4-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide (CID 70733213) is 2-fluoro-N-(3-methoxypropyl)-4-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(3-methoxypropyl)-4-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(3-methoxypropyl)-4-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide is COCCCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(C)cc1F.
What is the InChIKey of 2-fluoro-N-(3-methoxypropyl)-4-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is URTRIIDOFIPLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O3S/c1-14-5-6-17(16(18)13-14)24(21,22)20(9-4-12-23-3)15-7-10-19(2)11-8-15/h5-6,13,15H,4,7-12H2,1-3H3.
What are the key properties of 2-fluoro-N-(3-methoxypropyl)-4-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
2-fluoro-N-(3-methoxypropyl)-4-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 358.48 g/mol, XLogP of 2.26, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-methoxypropyl)-4-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 70733213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).