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

C30H32F6N4O3S — CID 42629577

IUPACN-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-3-sulfonamide
SMILESO=S(=O)(NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1ccc(OC2CCN(c3ccc(C(F)(F)F)cc3)CC2)nc1
InChIInChI=1S/C30H32F6N4O3S/c31-29(32,33)22-4-6-25(7-5-22)40-16-12-26(13-17-40)43-28-9-8-27(19-37-28)44(41,42)38-24-10-14-39(15-11-24)20-21-2-1-3-23(18-21)30(34,35)36/h1-9,18-19,24,26,38H,10-17,20H2
InChIKeyNWTNFNFIHHPDKL-UHFFFAOYSA-N
MW642.67 g/mol
LogP6.11
Rot. Bonds8

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

N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-3-sulfonamide (PubChem CID 42629577) has the molecular formula C30H32F6N4O3S and a molecular weight of 642.67 g/mol. Its IUPAC name is N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-3-sulfonamide
PubChem CID42629577
Molecular FormulaC30H32F6N4O3S
Molecular Weight642.67 g/mol
Exact Mass642.21
IUPAC NameN-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-3-sulfonamide
SMILESO=S(=O)(NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1ccc(OC2CCN(c3ccc(C(F)(F)F)cc3)CC2)nc1
InChIInChI=1S/C30H32F6N4O3S/c31-29(32,33)22-4-6-25(7-5-22)40-16-12-26(13-17-40)43-28-9-8-27(19-37-28)44(41,42)38-24-10-14-39(15-11-24)20-21-2-1-3-23(18-21)30(34,35)36/h1-9,18-19,24,26,38H,10-17,20H2
InChIKeyNWTNFNFIHHPDKL-UHFFFAOYSA-N
XLogP6.11
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.67
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine-3-sulfonamide
CID 58456871
N-[(2S)-2-methylpiperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-3-sulfonamide
CID 143807442
4-(cyclopropylsulfamoyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 55946520
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-[1-[(4-cyclopentyloxyphenyl)methyl]pyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 123163181
4-phenoxy-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine;hydrochloride
CID 117068516
N-[6-[4-[4-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]phenoxy]-3-pyridinyl]-4-(trifluoromethyl)benzenesulfonamide
CID 68522071
N-(1-benzylpiperidin-4-yl)-2-chloro-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxybenzamide
CID 24995350
4-bromo-2-methyl-5-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]amino]pyridazin-3-one
CID 133303669
oxo-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methyl]borane
CID 20701189
4-(dimethylsulfamoyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 55946515
2-[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine
CID 57057806

Frequently Asked Questions

What is the IUPAC name of N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-3-sulfonamide?
The IUPAC name of N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-3-sulfonamide (CID 42629577) is N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-3-sulfonamide.
What is the SMILES notation for N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-3-sulfonamide?
The canonical SMILES for N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-3-sulfonamide is O=S(=O)(NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1ccc(OC2CCN(c3ccc(C(F)(F)F)cc3)CC2)nc1.
What is the InChIKey of N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-3-sulfonamide?
The InChIKey is NWTNFNFIHHPDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F6N4O3S/c31-29(32,33)22-4-6-25(7-5-22)40-16-12-26(13-17-40)43-28-9-8-27(19-37-28)44(41,42)38-24-10-14-39(15-11-24)20-21-2-1-3-23(18-21)30(34,35)36/h1-9,18-19,24,26,38H,10-17,20H2.
What are the key properties of N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-3-sulfonamide?
N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-3-sulfonamide has a molecular weight of 642.67 g/mol, XLogP of 6.11, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-3-sulfonamide is sourced from PubChem (CID 42629577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).