4-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(4-fluorophenyl)benzenesulfonamide

C20H23FN2O3S — CID 25497663

IUPAC4-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(4-fluorophenyl)benzenesulfonamide
SMILESC[C@@H]1C[C@H](C)CN(C(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)C1
InChIInChI=1S/C20H23FN2O3S/c1-14-11-15(2)13-23(12-14)20(24)16-3-9-19(10-4-16)27(25,26)22-18-7-5-17(21)6-8-18/h3-10,14-15,22H,11-13H2,1-2H3/t14-,15+
InChIKeyVHOJXCINZZIBBA-GASCZTMLSA-N
MW390.48 g/mol
LogP3.74
Rot. Bonds4

About 4-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(4-fluorophenyl)benzenesulfonamide

4-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(4-fluorophenyl)benzenesulfonamide (PubChem CID 25497663) has the molecular formula C20H23FN2O3S and a molecular weight of 390.48 g/mol. Its IUPAC name is 4-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(4-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(4-fluorophenyl)benzenesulfonamide
PubChem CID25497663
Molecular FormulaC20H23FN2O3S
Molecular Weight390.48 g/mol
Exact Mass390.14
IUPAC Name4-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(4-fluorophenyl)benzenesulfonamide
SMILESC[C@@H]1C[C@H](C)CN(C(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)C1
InChIInChI=1S/C20H23FN2O3S/c1-14-11-15(2)13-23(12-14)20(24)16-3-9-19(10-4-16)27(25,26)22-18-7-5-17(21)6-8-18/h3-10,14-15,22H,11-13H2,1-2H3/t14-,15+
InChIKeyVHOJXCINZZIBBA-GASCZTMLSA-N
XLogP3.74
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 17492250
4-fluoro-N-[4-(3-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 119578076
3-chloro-N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide
CID 43010282
N-[[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]methyl]-4-fluorobenzenesulfonamide
CID 5073698
4-fluoro-N-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 78802442
N-[4-(4-aminopiperidine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide
CID 119374441
N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-4-fluorobenzenesulfonamide
CID 2336837
N-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)benzenesulfonamide
CID 56544473
4-(1,4-diazepane-1-carbonyl)-N-(4-fluorophenyl)benzenesulfonamide
CID 119414701
4-(3,5-dimethylpiperidine-1-carbonyl)-N-(4-fluorophenyl)-2-oxo-1H-quinoline-6-sulfonamide
CID 42908649
tert-butyl 4-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]piperazine-1-carboxylate
CID 41470918
4-fluoro-N-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 134014869

Frequently Asked Questions

What is the IUPAC name of 4-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(4-fluorophenyl)benzenesulfonamide?
The IUPAC name of 4-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(4-fluorophenyl)benzenesulfonamide (CID 25497663) is 4-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(4-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 4-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(4-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 4-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(4-fluorophenyl)benzenesulfonamide is C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)C1.
What is the InChIKey of 4-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(4-fluorophenyl)benzenesulfonamide?
The InChIKey is VHOJXCINZZIBBA-GASCZTMLSA-N. The full InChI is InChI=1S/C20H23FN2O3S/c1-14-11-15(2)13-23(12-14)20(24)16-3-9-19(10-4-16)27(25,26)22-18-7-5-17(21)6-8-18/h3-10,14-15,22H,11-13H2,1-2H3/t14-,15+.
What are the key properties of 4-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(4-fluorophenyl)benzenesulfonamide?
4-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(4-fluorophenyl)benzenesulfonamide has a molecular weight of 390.48 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(4-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 25497663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).