N-[[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]methyl]-4-fluorobenzenesulfonamide

C21H25FN2O3S — CID 5073698

IUPACN-[[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]methyl]-4-fluorobenzenesulfonamide
SMILESCC1CC(C)CN(C(=O)c2ccc(CNS(=O)(=O)c3ccc(F)cc3)cc2)C1
InChIInChI=1S/C21H25FN2O3S/c1-15-11-16(2)14-24(13-15)21(25)18-5-3-17(4-6-18)12-23-28(26,27)20-9-7-19(22)8-10-20/h3-10,15-16,23H,11-14H2,1-2H3
InChIKeyIRCDEFCGNOUSEG-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.42
Rot. Bonds5

About N-[[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]methyl]-4-fluorobenzenesulfonamide

N-[[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]methyl]-4-fluorobenzenesulfonamide (PubChem CID 5073698) has the molecular formula C21H25FN2O3S and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]methyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]methyl]-4-fluorobenzenesulfonamide
PubChem CID5073698
Molecular FormulaC21H25FN2O3S
Molecular Weight404.51 g/mol
Exact Mass404.16
IUPAC NameN-[[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]methyl]-4-fluorobenzenesulfonamide
SMILESCC1CC(C)CN(C(=O)c2ccc(CNS(=O)(=O)c3ccc(F)cc3)cc2)C1
InChIInChI=1S/C21H25FN2O3S/c1-15-11-16(2)14-24(13-15)21(25)18-5-3-17(4-6-18)12-23-28(26,27)20-9-7-19(22)8-10-20/h3-10,15-16,23H,11-14H2,1-2H3
InChIKeyIRCDEFCGNOUSEG-UHFFFAOYSA-N
XLogP3.42
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-[[4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]methyl]benzenesulfonamide
CID 42452992
4-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(4-fluorophenyl)benzenesulfonamide
CID 25497663
3-[(4-fluorophenyl)sulfonylamino]-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]propanamide
CID 55708983
4-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 3641567
4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[(4-fluorophenyl)methyl]benzamide
CID 7925561
N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-4-fluorobenzenesulfonamide
CID 2336837
4-methyl-N-[[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 3641566
4-acetyl-N-[[4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]phenyl]methyl]benzenesulfonamide
CID 55957914
4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(2-methylcyclohexyl)benzamide
CID 15997384
N-benzyl-4-(piperidine-1-carbonyl)benzenesulfonamide
CID 109059407
4-fluoro-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 17492250
4-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 28715741

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]methyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]methyl]-4-fluorobenzenesulfonamide (CID 5073698) is N-[[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]methyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]methyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]methyl]-4-fluorobenzenesulfonamide is CC1CC(C)CN(C(=O)c2ccc(CNS(=O)(=O)c3ccc(F)cc3)cc2)C1.
What is the InChIKey of N-[[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]methyl]-4-fluorobenzenesulfonamide?
The InChIKey is IRCDEFCGNOUSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3S/c1-15-11-16(2)14-24(13-15)21(25)18-5-3-17(4-6-18)12-23-28(26,27)20-9-7-19(22)8-10-20/h3-10,15-16,23H,11-14H2,1-2H3.
What are the key properties of N-[[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]methyl]-4-fluorobenzenesulfonamide?
N-[[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]methyl]-4-fluorobenzenesulfonamide has a molecular weight of 404.51 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]methyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 5073698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).