N,N-dimethyl-4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]sulfanylbenzenesulfonamide

C15H19F3N2O3S2 — CID 18538682

IUPACN,N-dimethyl-4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]sulfanylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(SC2CCN(C(=O)C(F)(F)F)CC2)cc1
InChIInChI=1S/C15H19F3N2O3S2/c1-19(2)25(22,23)13-5-3-11(4-6-13)24-12-7-9-20(10-8-12)14(21)15(16,17)18/h3-6,12H,7-10H2,1-2H3
InChIKeyAUEYXDANAZTZCC-UHFFFAOYSA-N
MW396.46 g/mol
LogP2.58
Rot. Bonds4

About N,N-dimethyl-4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]sulfanylbenzenesulfonamide

N,N-dimethyl-4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]sulfanylbenzenesulfonamide (PubChem CID 18538682) has the molecular formula C15H19F3N2O3S2 and a molecular weight of 396.46 g/mol. Its IUPAC name is N,N-dimethyl-4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]sulfanylbenzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]sulfanylbenzenesulfonamide
PubChem CID18538682
Molecular FormulaC15H19F3N2O3S2
Molecular Weight396.46 g/mol
Exact Mass396.08
IUPAC NameN,N-dimethyl-4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]sulfanylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(SC2CCN(C(=O)C(F)(F)F)CC2)cc1
InChIInChI=1S/C15H19F3N2O3S2/c1-19(2)25(22,23)13-5-3-11(4-6-13)24-12-7-9-20(10-8-12)14(21)15(16,17)18/h3-6,12H,7-10H2,1-2H3
InChIKeyAUEYXDANAZTZCC-UHFFFAOYSA-N
XLogP2.58
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]sulfanylbenzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]sulfanylbenzenesulfonamide (CID 18538682) is N,N-dimethyl-4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]sulfanylbenzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]sulfanylbenzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]sulfanylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(SC2CCN(C(=O)C(F)(F)F)CC2)cc1.
What is the InChIKey of N,N-dimethyl-4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]sulfanylbenzenesulfonamide?
The InChIKey is AUEYXDANAZTZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O3S2/c1-19(2)25(22,23)13-5-3-11(4-6-13)24-12-7-9-20(10-8-12)14(21)15(16,17)18/h3-6,12H,7-10H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]sulfanylbenzenesulfonamide?
N,N-dimethyl-4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]sulfanylbenzenesulfonamide has a molecular weight of 396.46 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]sulfanylbenzenesulfonamide is sourced from PubChem (CID 18538682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).