N-methyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-3-sulfonamide

C17H19F3N4O2S — CID 1214443

IUPACN-methyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1cnccc1N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C17H19F3N4O2S/c1-21-27(25,26)16-12-22-6-5-15(16)24-9-7-23(8-10-24)14-4-2-3-13(11-14)17(18,19)20/h2-6,11-12,21H,7-10H2,1H3
InChIKeyBFUFJVSGCXHQJK-UHFFFAOYSA-N
MW400.43 g/mol
LogP2.34
Rot. Bonds4

About N-methyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-3-sulfonamide

N-methyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-3-sulfonamide (PubChem CID 1214443) has the molecular formula C17H19F3N4O2S and a molecular weight of 400.43 g/mol. Its IUPAC name is N-methyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-methyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-3-sulfonamide
PubChem CID1214443
Molecular FormulaC17H19F3N4O2S
Molecular Weight400.43 g/mol
Exact Mass400.12
IUPAC NameN-methyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1cnccc1N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C17H19F3N4O2S/c1-21-27(25,26)16-12-22-6-5-15(16)24-9-7-23(8-10-24)14-4-2-3-13(11-14)17(18,19)20/h2-6,11-12,21H,7-10H2,1H3
InChIKeyBFUFJVSGCXHQJK-UHFFFAOYSA-N
XLogP2.34
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methyl-4-pyridinyl)-4-[3-(trifluoromethyl)phenyl]piperazine;trihydrochloride
CID 3060365
N-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-sulfonamide
CID 901903
pyridin-4-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 2166152
4-bromo-2-methyl-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-one
CID 133302857
N-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamine
CID 150897993
2-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazine
CID 171334508
1-[3-(trifluoromethyl)phenyl]-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 32937290
N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 2973748
1-(2,4,5-trichlorophenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3286417
1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 110452554
3-(methanesulfonamido)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzoic acid;2,2,2-trifluoroacetic acid
CID 146053999
N-(3-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 2982408

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-3-sulfonamide?
The IUPAC name of N-methyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-3-sulfonamide (CID 1214443) is N-methyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-methyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-methyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-3-sulfonamide is CNS(=O)(=O)c1cnccc1N1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-methyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-3-sulfonamide?
The InChIKey is BFUFJVSGCXHQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O2S/c1-21-27(25,26)16-12-22-6-5-15(16)24-9-7-23(8-10-24)14-4-2-3-13(11-14)17(18,19)20/h2-6,11-12,21H,7-10H2,1H3.
What are the key properties of N-methyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-3-sulfonamide?
N-methyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-3-sulfonamide has a molecular weight of 400.43 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 1214443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).