N-[2-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-4-fluoro-2-methylbenzenesulfonamide

C21H25FN2O3S — CID 2360003

IUPACN-[2-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)N1C[C@H](C)C[C@@H](C)C1
InChIInChI=1S/C21H25FN2O3S/c1-14-10-15(2)13-24(12-14)21(25)18-6-4-5-7-19(18)23-28(26,27)20-9-8-17(22)11-16(20)3/h4-9,11,14-15,23H,10,12-13H2,1-3H3/t14-,15-/m1/s1
InChIKeyWVDCHGCGSPYTKZ-HUUCEWRRSA-N
MW404.51 g/mol
LogP4.05
Rot. Bonds4

About N-[2-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-4-fluoro-2-methylbenzenesulfonamide

N-[2-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-4-fluoro-2-methylbenzenesulfonamide (PubChem CID 2360003) has the molecular formula C21H25FN2O3S and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[2-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-4-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-4-fluoro-2-methylbenzenesulfonamide
PubChem CID2360003
Molecular FormulaC21H25FN2O3S
Molecular Weight404.51 g/mol
Exact Mass404.16
IUPAC NameN-[2-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)N1C[C@H](C)C[C@@H](C)C1
InChIInChI=1S/C21H25FN2O3S/c1-14-10-15(2)13-24(12-14)21(25)18-6-4-5-7-19(18)23-28(26,27)20-9-8-17(22)11-16(20)3/h4-9,11,14-15,23H,10,12-13H2,1-3H3/t14-,15-/m1/s1
InChIKeyWVDCHGCGSPYTKZ-HUUCEWRRSA-N
XLogP4.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-4-fluorobenzenesulfonamide
CID 2336837
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 16529275
N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-4-fluoro-2-methylbenzenesulfonamide
CID 60534480
2,4-dimethyl-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 31813143
2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-piperidin-4-ylbenzamide
CID 119386020
propan-2-yl 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 16619625
5-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(2-methoxyphenyl)-2-methylbenzenesulfonamide
CID 2336291
2-oxopropyl 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 2569504
N-[2-(3-aminopiperidine-1-carbonyl)phenyl]-2,5-difluorobenzenesulfonamide;hydrochloride
CID 119379589
N-(3,5-dichlorophenyl)-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide
CID 2334103
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 8762838
N-[2-(aziridine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide
CID 2336130

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-4-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-[2-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-4-fluoro-2-methylbenzenesulfonamide (CID 2360003) is N-[2-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-4-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-4-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-[2-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-4-fluoro-2-methylbenzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)N1C[C@H](C)C[C@@H](C)C1.
What is the InChIKey of N-[2-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-4-fluoro-2-methylbenzenesulfonamide?
The InChIKey is WVDCHGCGSPYTKZ-HUUCEWRRSA-N. The full InChI is InChI=1S/C21H25FN2O3S/c1-14-10-15(2)13-24(12-14)21(25)18-6-4-5-7-19(18)23-28(26,27)20-9-8-17(22)11-16(20)3/h4-9,11,14-15,23H,10,12-13H2,1-3H3/t14-,15-/m1/s1.
What are the key properties of N-[2-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-4-fluoro-2-methylbenzenesulfonamide?
N-[2-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-4-fluoro-2-methylbenzenesulfonamide has a molecular weight of 404.51 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-4-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 2360003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).