1,1,1-trifluoro-N-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]methanesulfonamide

C13H15F3N2O3S — CID 46855137

IUPAC1,1,1-trifluoro-N-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]methanesulfonamide
SMILESO=C1CCCCN1Cc1ccccc1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C13H15F3N2O3S/c14-13(15,16)22(20,21)17-11-6-2-1-5-10(11)9-18-8-4-3-7-12(18)19/h1-2,5-6,17H,3-4,7-9H2
InChIKeyUHRIXQVDPKLKMN-UHFFFAOYSA-N
MW336.34 g/mol
LogP2.46
Rot. Bonds4

About 1,1,1-trifluoro-N-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]methanesulfonamide

1,1,1-trifluoro-N-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]methanesulfonamide (PubChem CID 46855137) has the molecular formula C13H15F3N2O3S and a molecular weight of 336.34 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]methanesulfonamide
PubChem CID46855137
Molecular FormulaC13H15F3N2O3S
Molecular Weight336.34 g/mol
Exact Mass336.08
IUPAC Name1,1,1-trifluoro-N-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]methanesulfonamide
SMILESO=C1CCCCN1Cc1ccccc1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C13H15F3N2O3S/c14-13(15,16)22(20,21)17-11-6-2-1-5-10(11)9-18-8-4-3-7-12(18)19/h1-2,5-6,17H,3-4,7-9H2
InChIKeyUHRIXQVDPKLKMN-UHFFFAOYSA-N
XLogP2.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]methanesulfonamide (CID 46855137) is 1,1,1-trifluoro-N-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]methanesulfonamide is O=C1CCCCN1Cc1ccccc1NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]methanesulfonamide?
The InChIKey is UHRIXQVDPKLKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O3S/c14-13(15,16)22(20,21)17-11-6-2-1-5-10(11)9-18-8-4-3-7-12(18)19/h1-2,5-6,17H,3-4,7-9H2.
What are the key properties of 1,1,1-trifluoro-N-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]methanesulfonamide?
1,1,1-trifluoro-N-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]methanesulfonamide has a molecular weight of 336.34 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 46855137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).