N-methyl-N-(2-piperidin-4-ylphenyl)methanesulfonamide;2,2,2-trifluoroacetic acid

C15H21F3N2O4S — CID 86753991

IUPACN-methyl-N-(2-piperidin-4-ylphenyl)methanesulfonamide;2,2,2-trifluoroacetic acid
SMILESCN(c1ccccc1C1CCNCC1)S(C)(=O)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C13H20N2O2S.C2HF3O2/c1-15(18(2,16)17)13-6-4-3-5-12(13)11-7-9-14-10-8-11;3-2(4,5)1(6)7/h3-6,11,14H,7-10H2,1-2H3;(H,6,7)
InChIKeySWPDFSCJNQTTAM-UHFFFAOYSA-N
MW382.40 g/mol
LogP2.18
Rot. Bonds3

About N-methyl-N-(2-piperidin-4-ylphenyl)methanesulfonamide;2,2,2-trifluoroacetic acid

N-methyl-N-(2-piperidin-4-ylphenyl)methanesulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 86753991) has the molecular formula C15H21F3N2O4S and a molecular weight of 382.40 g/mol. Its IUPAC name is N-methyl-N-(2-piperidin-4-ylphenyl)methanesulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-methyl-N-(2-piperidin-4-ylphenyl)methanesulfonamide;2,2,2-trifluoroacetic acid
PubChem CID86753991
Molecular FormulaC15H21F3N2O4S
Molecular Weight382.40 g/mol
Exact Mass382.12
IUPAC NameN-methyl-N-(2-piperidin-4-ylphenyl)methanesulfonamide;2,2,2-trifluoroacetic acid
SMILESCN(c1ccccc1C1CCNCC1)S(C)(=O)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C13H20N2O2S.C2HF3O2/c1-15(18(2,16)17)13-6-4-3-5-12(13)11-7-9-14-10-8-11;3-2(4,5)1(6)7/h3-6,11,14H,7-10H2,1-2H3;(H,6,7)
InChIKeySWPDFSCJNQTTAM-UHFFFAOYSA-N
XLogP2.18
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-piperidin-4-ylphenyl)methanesulfonamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-methyl-N-(2-piperidin-4-ylphenyl)methanesulfonamide;2,2,2-trifluoroacetic acid (CID 86753991) is N-methyl-N-(2-piperidin-4-ylphenyl)methanesulfonamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-methyl-N-(2-piperidin-4-ylphenyl)methanesulfonamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-methyl-N-(2-piperidin-4-ylphenyl)methanesulfonamide;2,2,2-trifluoroacetic acid is CN(c1ccccc1C1CCNCC1)S(C)(=O)=O.O=C(O)C(F)(F)F.
What is the InChIKey of N-methyl-N-(2-piperidin-4-ylphenyl)methanesulfonamide;2,2,2-trifluoroacetic acid?
The InChIKey is SWPDFSCJNQTTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S.C2HF3O2/c1-15(18(2,16)17)13-6-4-3-5-12(13)11-7-9-14-10-8-11;3-2(4,5)1(6)7/h3-6,11,14H,7-10H2,1-2H3;(H,6,7).
What are the key properties of N-methyl-N-(2-piperidin-4-ylphenyl)methanesulfonamide;2,2,2-trifluoroacetic acid?
N-methyl-N-(2-piperidin-4-ylphenyl)methanesulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 382.40 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-piperidin-4-ylphenyl)methanesulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 86753991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).