3,5-difluoro-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide

C15H22F2N2O2S — CID 17461365

IUPAC3,5-difluoro-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide
SMILESCC1CCN(CCCNS(=O)(=O)c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C15H22F2N2O2S/c1-12-3-7-19(8-4-12)6-2-5-18-22(20,21)15-10-13(16)9-14(17)11-15/h9-12,18H,2-8H2,1H3
InChIKeyAQUJTVPEGFQEGW-UHFFFAOYSA-N
MW332.42 g/mol
LogP2.37
Rot. Bonds6

About 3,5-difluoro-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide

3,5-difluoro-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide (PubChem CID 17461365) has the molecular formula C15H22F2N2O2S and a molecular weight of 332.42 g/mol. Its IUPAC name is 3,5-difluoro-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-difluoro-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide
PubChem CID17461365
Molecular FormulaC15H22F2N2O2S
Molecular Weight332.42 g/mol
Exact Mass332.14
IUPAC Name3,5-difluoro-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide
SMILESCC1CCN(CCCNS(=O)(=O)c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C15H22F2N2O2S/c1-12-3-7-19(8-4-12)6-2-5-18-22(20,21)15-10-13(16)9-14(17)11-15/h9-12,18H,2-8H2,1H3
InChIKeyAQUJTVPEGFQEGW-UHFFFAOYSA-N
XLogP2.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide
CID 8844162
4-cyano-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide
CID 8844122
N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 43629431
4-bromo-3-fluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzenesulfonamide
CID 103697368
4-[3-(4-methylpiperidin-1-yl)propylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 8844139
1-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrazole-4-sulfonamide
CID 47034943
4-fluoro-3,5-dimethyl-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 119994706
1-(cyclopropanecarbonyl)-N-[3-(4-methylpiperidin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide
CID 20853225
N-[(3-fluorophenyl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 28679808
3,5-difluoro-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide
CID 43606868
5-bromo-3-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]triazole-4-sulfonamide
CID 106467584
2,6-difluoro-4-[[3-(4-methylpiperidin-1-yl)propylamino]methyl]phenol
CID 79832437

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide?
The IUPAC name of 3,5-difluoro-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide (CID 17461365) is 3,5-difluoro-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 3,5-difluoro-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide?
The canonical SMILES for 3,5-difluoro-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide is CC1CCN(CCCNS(=O)(=O)c2cc(F)cc(F)c2)CC1.
What is the InChIKey of 3,5-difluoro-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide?
The InChIKey is AQUJTVPEGFQEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O2S/c1-12-3-7-19(8-4-12)6-2-5-18-22(20,21)15-10-13(16)9-14(17)11-15/h9-12,18H,2-8H2,1H3.
What are the key properties of 3,5-difluoro-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide?
3,5-difluoro-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide has a molecular weight of 332.42 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 17461365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).