N-[(2S)-2-methylpiperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-3-sulfonamide

C23H29F3N4O3S — CID 143807442

IUPACN-[(2S)-2-methylpiperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-3-sulfonamide
SMILESC[C@H]1CC(NS(=O)(=O)c2ccc(OC3CCN(c4ccc(C(F)(F)F)cc4)CC3)nc2)CCN1
InChIInChI=1S/C23H29F3N4O3S/c1-16-14-18(8-11-27-16)29-34(31,32)21-6-7-22(28-15-21)33-20-9-12-30(13-10-20)19-4-2-17(3-5-19)23(24,25)26/h2-7,15-16,18,20,27,29H,8-14H2,1H3/t16-,18?/m0/s1
InChIKeyXSKWKKKATVFALZ-ATNAJCNCSA-N
MW498.57 g/mol
LogP3.57
Rot. Bonds6

About N-[(2S)-2-methylpiperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-3-sulfonamide

N-[(2S)-2-methylpiperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-3-sulfonamide (PubChem CID 143807442) has the molecular formula C23H29F3N4O3S and a molecular weight of 498.57 g/mol. Its IUPAC name is N-[(2S)-2-methylpiperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-methylpiperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-3-sulfonamide
PubChem CID143807442
Molecular FormulaC23H29F3N4O3S
Molecular Weight498.57 g/mol
Exact Mass498.19
IUPAC NameN-[(2S)-2-methylpiperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-3-sulfonamide
SMILESC[C@H]1CC(NS(=O)(=O)c2ccc(OC3CCN(c4ccc(C(F)(F)F)cc4)CC3)nc2)CCN1
InChIInChI=1S/C23H29F3N4O3S/c1-16-14-18(8-11-27-16)29-34(31,32)21-6-7-22(28-15-21)33-20-9-12-30(13-10-20)19-4-2-17(3-5-19)23(24,25)26/h2-7,15-16,18,20,27,29H,8-14H2,1H3/t16-,18?/m0/s1
InChIKeyXSKWKKKATVFALZ-ATNAJCNCSA-N
XLogP3.57
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.57
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-3-sulfonamide
CID 42629577
6-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine-3-sulfonamide
CID 58456871
2-[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine
CID 57057806
N-[(3S)-pyrrolidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 79684944
2-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine
CID 133446162
N-pyrrolidin-3-yl-6-(trifluoromethyl)pyridine-3-sulfonamide;hydrochloride
CID 120707588
N-piperidin-3-yl-4-(trifluoromethyl)benzenesulfonamide
CID 63321069
2-methyl-4-[[4-[[6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-3-carbonyl]amino]piperidin-1-yl]methyl]benzoic acid
CID 118250062
N-(2-methylpiperidin-4-yl)-4-(2-methylpropoxy)benzenesulfonamide
CID 120586143
3-fluoro-4-methoxy-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 106995675
2-piperidin-4-yl-1-[2-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-4-pyridinyl]ethanone
CID 58456861
N-[(3S)-piperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120716651

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-methylpiperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-3-sulfonamide?
The IUPAC name of N-[(2S)-2-methylpiperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-3-sulfonamide (CID 143807442) is N-[(2S)-2-methylpiperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-3-sulfonamide.
What is the SMILES notation for N-[(2S)-2-methylpiperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-3-sulfonamide?
The canonical SMILES for N-[(2S)-2-methylpiperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-3-sulfonamide is C[C@H]1CC(NS(=O)(=O)c2ccc(OC3CCN(c4ccc(C(F)(F)F)cc4)CC3)nc2)CCN1.
What is the InChIKey of N-[(2S)-2-methylpiperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-3-sulfonamide?
The InChIKey is XSKWKKKATVFALZ-ATNAJCNCSA-N. The full InChI is InChI=1S/C23H29F3N4O3S/c1-16-14-18(8-11-27-16)29-34(31,32)21-6-7-22(28-15-21)33-20-9-12-30(13-10-20)19-4-2-17(3-5-19)23(24,25)26/h2-7,15-16,18,20,27,29H,8-14H2,1H3/t16-,18?/m0/s1.
What are the key properties of N-[(2S)-2-methylpiperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-3-sulfonamide?
N-[(2S)-2-methylpiperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-3-sulfonamide has a molecular weight of 498.57 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-methylpiperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-3-sulfonamide is sourced from PubChem (CID 143807442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).