1-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]methyl]pyrrolidine-2-carboxamide

C19H20F3N3O3S — CID 102563728

IUPAC1-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1Cc1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H20F3N3O3S/c20-19(21,22)14-6-3-7-15(11-14)29(27,28)24-16-8-2-1-5-13(16)12-25-10-4-9-17(25)18(23)26/h1-3,5-8,11,17,24H,4,9-10,12H2,(H2,23,26)
InChIKeyHSEWTOPHMURUHS-UHFFFAOYSA-N
MW427.45 g/mol
LogP2.96
Rot. Bonds6

About 1-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]methyl]pyrrolidine-2-carboxamide

1-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 102563728) has the molecular formula C19H20F3N3O3S and a molecular weight of 427.45 g/mol. Its IUPAC name is 1-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID102563728
Molecular FormulaC19H20F3N3O3S
Molecular Weight427.45 g/mol
Exact Mass427.12
IUPAC Name1-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1Cc1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H20F3N3O3S/c20-19(21,22)14-6-3-7-15(11-14)29(27,28)24-16-8-2-1-5-13(16)12-25-10-4-9-17(25)18(23)26/h1-3,5-8,11,17,24H,4,9-10,12H2,(H2,23,26)
InChIKeyHSEWTOPHMURUHS-UHFFFAOYSA-N
XLogP2.96
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.45
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide
CID 95146043
1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxamide
CID 142687635
ethyl 1-[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoyl]piperidine-4-carboxylate
CID 32651205
1-[[3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 56540164
N-[2-[(3,4,5-trichloroanilino)methyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 171342349
N,N-dimethyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 25494632
(2R)-1-[[2-[(4-oxo-4-phenylbutanoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 52526979
N-[2-(morpholine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 31813108
N-[2-(2,2-dimethylpropanoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 135058672
(2S)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 67172686
1-[[2-[[(E)-3-(3-phenylphenyl)prop-2-enoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 56548081
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 2574466

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]methyl]pyrrolidine-2-carboxamide (CID 102563728) is 1-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]methyl]pyrrolidine-2-carboxamide is NC(=O)C1CCCN1Cc1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is HSEWTOPHMURUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O3S/c20-19(21,22)14-6-3-7-15(11-14)29(27,28)24-16-8-2-1-5-13(16)12-25-10-4-9-17(25)18(23)26/h1-3,5-8,11,17,24H,4,9-10,12H2,(H2,23,26).
What are the key properties of 1-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]methyl]pyrrolidine-2-carboxamide?
1-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 427.45 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 102563728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).