2-pyrrolidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanesulfonamide

C14H19F3N2O2S — CID 122150328

IUPAC2-pyrrolidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanesulfonamide
SMILESO=S(=O)(CCN1CCCC1)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O2S/c15-14(16,17)13-5-3-4-12(10-13)11-18-22(20,21)9-8-19-6-1-2-7-19/h3-5,10,18H,1-2,6-9,11H2
InChIKeyIWZKFVXSSXNCSP-UHFFFAOYSA-N
MW336.38 g/mol
LogP2.22
Rot. Bonds6

About 2-pyrrolidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanesulfonamide

2-pyrrolidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanesulfonamide (PubChem CID 122150328) has the molecular formula C14H19F3N2O2S and a molecular weight of 336.38 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanesulfonamide
PubChem CID122150328
Molecular FormulaC14H19F3N2O2S
Molecular Weight336.38 g/mol
Exact Mass336.11
IUPAC Name2-pyrrolidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanesulfonamide
SMILESO=S(=O)(CCN1CCCC1)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O2S/c15-14(16,17)13-5-3-4-12(10-13)11-18-22(20,21)9-8-19-6-1-2-7-19/h3-5,10,18H,1-2,6-9,11H2
InChIKeyIWZKFVXSSXNCSP-UHFFFAOYSA-N
XLogP2.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-piperidin-1-ylethyl)-2-[4-[[3-(trifluoromethyl)phenyl]methylamino]phenyl]acetamide
CID 42852643
(2S)-N-(2-piperidin-1-ylethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 757431
1-(2-chloroethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 63387970
1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 86993073
N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)aniline
CID 54807271
N-[[2-(azetidin-1-ylmethyl)-6-fluoro-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]methyl]-1-cyclopropylmethanesulfonamide
CID 66744560
N-[[2-(azetidin-1-ylmethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]methyl]-1-methylimidazole-4-sulfonamide
CID 56656029
N-(cyanomethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 15616017
1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 61462002
4-[2-[3-(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxylic acid
CID 67357875
3-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 42191490
N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 55414677

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanesulfonamide?
The IUPAC name of 2-pyrrolidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanesulfonamide (CID 122150328) is 2-pyrrolidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanesulfonamide.
What is the SMILES notation for 2-pyrrolidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanesulfonamide?
The canonical SMILES for 2-pyrrolidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanesulfonamide is O=S(=O)(CCN1CCCC1)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-pyrrolidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanesulfonamide?
The InChIKey is IWZKFVXSSXNCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2S/c15-14(16,17)13-5-3-4-12(10-13)11-18-22(20,21)9-8-19-6-1-2-7-19/h3-5,10,18H,1-2,6-9,11H2.
What are the key properties of 2-pyrrolidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanesulfonamide?
2-pyrrolidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanesulfonamide has a molecular weight of 336.38 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanesulfonamide is sourced from PubChem (CID 122150328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).