N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide

C17H23F3N2O3S — CID 119104068

IUPACN-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CCN(C2CCOC2)CC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H23F3N2O3S/c18-17(19,20)14-2-1-3-16(10-14)26(23,24)21-11-13-4-7-22(8-5-13)15-6-9-25-12-15/h1-3,10,13,15,21H,4-9,11-12H2
InChIKeySLDIAJIKZAHUOU-UHFFFAOYSA-N
MW392.44 g/mol
LogP2.48
Rot. Bonds5

About N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide

N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 119104068) has the molecular formula C17H23F3N2O3S and a molecular weight of 392.44 g/mol. Its IUPAC name is N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID119104068
Molecular FormulaC17H23F3N2O3S
Molecular Weight392.44 g/mol
Exact Mass392.14
IUPAC NameN-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CCN(C2CCOC2)CC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H23F3N2O3S/c18-17(19,20)14-2-1-3-16(10-14)26(23,24)21-11-13-4-7-22(8-5-13)15-6-9-25-12-15/h1-3,10,13,15,21H,4-9,11-12H2
InChIKeySLDIAJIKZAHUOU-UHFFFAOYSA-N
XLogP2.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3R)-oxolan-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 94061219
N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 119104065
4-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]piperidine-1-carboxylate
CID 152770738
N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 91813049
4-fluoro-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 121109566
N-[(3-chlorocyclobutyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 66004822
N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-fluorobenzenesulfonamide
CID 16887715
N-[[(3R)-1-[(4-cyclopropyloxyphenyl)methyl]pyrrolidin-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 144961584
N-[[1-[3-(furan-2-yl)prop-2-enoyl]piperidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 71961640
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 121108267
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 2574466
N-methyl-N-(oxolan-3-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 91905749

Frequently Asked Questions

What is the IUPAC name of N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide (CID 119104068) is N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCC1CCN(C2CCOC2)CC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is SLDIAJIKZAHUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O3S/c18-17(19,20)14-2-1-3-16(10-14)26(23,24)21-11-13-4-7-22(8-5-13)15-6-9-25-12-15/h1-3,10,13,15,21H,4-9,11-12H2.
What are the key properties of N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 392.44 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 119104068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).