4-(4-methylpiperidin-1-yl)sulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide

C20H21F3N2O3S — CID 18274530

IUPAC4-(4-methylpiperidin-1-yl)sulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESCC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2)CC1
InChIInChI=1S/C20H21F3N2O3S/c1-14-10-12-25(13-11-14)29(27,28)18-8-2-15(3-9-18)19(26)24-17-6-4-16(5-7-17)20(21,22)23/h2-9,14H,10-13H2,1H3,(H,24,26)
InChIKeyPHNDUTUAGNCQRB-UHFFFAOYSA-N
MW426.46 g/mol
LogP4.38
Rot. Bonds4

About 4-(4-methylpiperidin-1-yl)sulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide

4-(4-methylpiperidin-1-yl)sulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 18274530) has the molecular formula C20H21F3N2O3S and a molecular weight of 426.46 g/mol. Its IUPAC name is 4-(4-methylpiperidin-1-yl)sulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(4-methylpiperidin-1-yl)sulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID18274530
Molecular FormulaC20H21F3N2O3S
Molecular Weight426.46 g/mol
Exact Mass426.12
IUPAC Name4-(4-methylpiperidin-1-yl)sulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESCC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2)CC1
InChIInChI=1S/C20H21F3N2O3S/c1-14-10-12-25(13-11-14)29(27,28)18-8-2-15(3-9-18)19(26)24-17-6-4-16(5-7-17)20(21,22)23/h2-9,14H,10-13H2,1H3,(H,24,26)
InChIKeyPHNDUTUAGNCQRB-UHFFFAOYSA-N
XLogP4.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.46
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 1010611
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-(propanoylamino)benzamide
CID 3307989
4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 17391128
4-(4-methylpiperidin-1-yl)sulfonyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 26269172
4-(4-methylpiperidin-1-yl)sulfonyl-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3291723
N-[4-(4-methylpiperidin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9033710
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-propoxybenzamide
CID 4938426
6-chloro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]pyridine-3-carboxamide
CID 9492793
4-(3-methylbutoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 4948201
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
1-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-oxopyridine-4-carboxamide
CID 39991070
2-methyl-N-[4-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]phenyl]cyclopropane-1-carboxamide
CID 46450470

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidin-1-yl)sulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-(4-methylpiperidin-1-yl)sulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide (CID 18274530) is 4-(4-methylpiperidin-1-yl)sulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-(4-methylpiperidin-1-yl)sulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-(4-methylpiperidin-1-yl)sulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide is CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2)CC1.
What is the InChIKey of 4-(4-methylpiperidin-1-yl)sulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is PHNDUTUAGNCQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O3S/c1-14-10-12-25(13-11-14)29(27,28)18-8-2-15(3-9-18)19(26)24-17-6-4-16(5-7-17)20(21,22)23/h2-9,14H,10-13H2,1H3,(H,24,26).
What are the key properties of 4-(4-methylpiperidin-1-yl)sulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide?
4-(4-methylpiperidin-1-yl)sulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 426.46 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidin-1-yl)sulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 18274530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).