4-[[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]amino]-2-(trifluoromethyl)benzenesulfonamide

C18H17ClF3N3O3S — CID 133340345

IUPAC4-[[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]amino]-2-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NC2CCCN(c3ccccc3Cl)C2=O)cc1C(F)(F)F
InChIInChI=1S/C18H17ClF3N3O3S/c19-13-4-1-2-6-15(13)25-9-3-5-14(17(25)26)24-11-7-8-16(29(23,27)28)12(10-11)18(20,21)22/h1-2,4,6-8,10,14,24H,3,5,9H2,(H2,23,27,28)
InChIKeyNHGMHFVIOVEOJZ-UHFFFAOYSA-N
MW447.87 g/mol
LogP3.61
Rot. Bonds4

About 4-[[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]amino]-2-(trifluoromethyl)benzenesulfonamide

4-[[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]amino]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 133340345) has the molecular formula C18H17ClF3N3O3S and a molecular weight of 447.87 g/mol. Its IUPAC name is 4-[[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]amino]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]amino]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID133340345
Molecular FormulaC18H17ClF3N3O3S
Molecular Weight447.87 g/mol
Exact Mass447.06
IUPAC Name4-[[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]amino]-2-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NC2CCCN(c3ccccc3Cl)C2=O)cc1C(F)(F)F
InChIInChI=1S/C18H17ClF3N3O3S/c19-13-4-1-2-6-15(13)25-9-3-5-14(17(25)26)24-11-7-8-16(29(23,27)28)12(10-11)18(20,21)22/h1-2,4,6-8,10,14,24H,3,5,9H2,(H2,23,27,28)
InChIKeyNHGMHFVIOVEOJZ-UHFFFAOYSA-N
XLogP3.61
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.87
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]amino]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-[[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]amino]-2-(trifluoromethyl)benzenesulfonamide (CID 133340345) is 4-[[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]amino]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-[[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]amino]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-[[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]amino]-2-(trifluoromethyl)benzenesulfonamide is NS(=O)(=O)c1ccc(NC2CCCN(c3ccccc3Cl)C2=O)cc1C(F)(F)F.
What is the InChIKey of 4-[[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]amino]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is NHGMHFVIOVEOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3N3O3S/c19-13-4-1-2-6-15(13)25-9-3-5-14(17(25)26)24-11-7-8-16(29(23,27)28)12(10-11)18(20,21)22/h1-2,4,6-8,10,14,24H,3,5,9H2,(H2,23,27,28).
What are the key properties of 4-[[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]amino]-2-(trifluoromethyl)benzenesulfonamide?
4-[[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]amino]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 447.87 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]amino]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 133340345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).