2-chloro-5-methylsulfonyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide

C20H20ClF3N2O3S — CID 29427087

IUPAC2-chloro-5-methylsulfonyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
SMILESCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)c1
InChIInChI=1S/C20H20ClF3N2O3S/c1-30(28,29)14-6-7-16(21)15(12-14)19(27)25-17-11-13(20(22,23)24)5-8-18(17)26-9-3-2-4-10-26/h5-8,11-12H,2-4,9-10H2,1H3,(H,25,27)
InChIKeyWBHBGRDABPJQLP-UHFFFAOYSA-N
MW460.91 g/mol
LogP5.00
Rot. Bonds4

About 2-chloro-5-methylsulfonyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide

2-chloro-5-methylsulfonyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 29427087) has the molecular formula C20H20ClF3N2O3S and a molecular weight of 460.91 g/mol. Its IUPAC name is 2-chloro-5-methylsulfonyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-methylsulfonyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
PubChem CID29427087
Molecular FormulaC20H20ClF3N2O3S
Molecular Weight460.91 g/mol
Exact Mass460.08
IUPAC Name2-chloro-5-methylsulfonyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
SMILESCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)c1
InChIInChI=1S/C20H20ClF3N2O3S/c1-30(28,29)14-6-7-16(21)15(12-14)19(27)25-17-11-13(20(22,23)24)5-8-18(17)26-9-3-2-4-10-26/h5-8,11-12H,2-4,9-10H2,1H3,(H,25,27)
InChIKeyWBHBGRDABPJQLP-UHFFFAOYSA-N
XLogP5.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.91
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2065695
5-methylsulfonyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 86944084
2,4-dichloro-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 1397318
2-bromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 4028135
2-iodo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2067749
5-(methylsulfamoyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55676456
2-methoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 1422102
2-chloro-5-methylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
CID 55817625
4-nitro-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 1421990
3,4-dichloro-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 17307915
1-methyl-2-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide
CID 55756099
N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 146131067

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methylsulfonyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-chloro-5-methylsulfonyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide (CID 29427087) is 2-chloro-5-methylsulfonyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-5-methylsulfonyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-chloro-5-methylsulfonyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide is CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)c1.
What is the InChIKey of 2-chloro-5-methylsulfonyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is WBHBGRDABPJQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClF3N2O3S/c1-30(28,29)14-6-7-16(21)15(12-14)19(27)25-17-11-13(20(22,23)24)5-8-18(17)26-9-3-2-4-10-26/h5-8,11-12H,2-4,9-10H2,1H3,(H,25,27).
What are the key properties of 2-chloro-5-methylsulfonyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide?
2-chloro-5-methylsulfonyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 460.91 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methylsulfonyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 29427087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).