4-(4-methylpiperidin-1-yl)sulfonyl-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide

C16H17F3N4O4S — CID 3291723

IUPAC4-(4-methylpiperidin-1-yl)sulfonyl-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(C(F)(F)F)o3)cc2)CC1
InChIInChI=1S/C16H17F3N4O4S/c1-10-6-8-23(9-7-10)28(25,26)12-4-2-11(3-5-12)13(24)20-15-22-21-14(27-15)16(17,18)19/h2-5,10H,6-9H2,1H3,(H,20,22,24)
InChIKeyQLWRHZQMFGARTN-UHFFFAOYSA-N
MW418.40 g/mol
LogP2.76
Rot. Bonds4

About 4-(4-methylpiperidin-1-yl)sulfonyl-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide

4-(4-methylpiperidin-1-yl)sulfonyl-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 3291723) has the molecular formula C16H17F3N4O4S and a molecular weight of 418.40 g/mol. Its IUPAC name is 4-(4-methylpiperidin-1-yl)sulfonyl-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-(4-methylpiperidin-1-yl)sulfonyl-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID3291723
Molecular FormulaC16H17F3N4O4S
Molecular Weight418.40 g/mol
Exact Mass418.09
IUPAC Name4-(4-methylpiperidin-1-yl)sulfonyl-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(C(F)(F)F)o3)cc2)CC1
InChIInChI=1S/C16H17F3N4O4S/c1-10-6-8-23(9-7-10)28(25,26)12-4-2-11(3-5-12)13(24)20-15-22-21-14(27-15)16(17,18)19/h2-5,10H,6-9H2,1H3,(H,20,22,24)
InChIKeyQLWRHZQMFGARTN-UHFFFAOYSA-N
XLogP2.76
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(azepan-1-ylsulfonyl)-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4049893
4-(4-methylpiperidin-1-yl)sulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 18274530
4-(4-methylpiperidin-1-yl)sulfonyl-N-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43952019
4-fluoro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 1010611
N-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 41179127
4-(4-methylpiperidin-1-yl)sulfonyl-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974579
N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide
CID 2051270
N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 2155671
ethyl 4-[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
CID 3437327
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 2051172
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-(propanoylamino)benzamide
CID 3307989
N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 40956656

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidin-1-yl)sulfonyl-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-(4-methylpiperidin-1-yl)sulfonyl-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 3291723) is 4-(4-methylpiperidin-1-yl)sulfonyl-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-(4-methylpiperidin-1-yl)sulfonyl-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-(4-methylpiperidin-1-yl)sulfonyl-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide is CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(C(F)(F)F)o3)cc2)CC1.
What is the InChIKey of 4-(4-methylpiperidin-1-yl)sulfonyl-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is QLWRHZQMFGARTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O4S/c1-10-6-8-23(9-7-10)28(25,26)12-4-2-11(3-5-12)13(24)20-15-22-21-14(27-15)16(17,18)19/h2-5,10H,6-9H2,1H3,(H,20,22,24).
What are the key properties of 4-(4-methylpiperidin-1-yl)sulfonyl-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide?
4-(4-methylpiperidin-1-yl)sulfonyl-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 418.40 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidin-1-yl)sulfonyl-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 3291723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).