3-(benzylsulfamoyl)-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide

C20H22F3N3O3S — CID 60604981

IUPAC3-(benzylsulfamoyl)-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide
SMILESO=C(NC1CCN(CC(F)(F)F)C1)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C20H22F3N3O3S/c21-20(22,23)14-26-10-9-17(13-26)25-19(27)16-7-4-8-18(11-16)30(28,29)24-12-15-5-2-1-3-6-15/h1-8,11,17,24H,9-10,12-14H2,(H,25,27)
InChIKeyXRVXHHGEGYCNAW-UHFFFAOYSA-N
MW441.48 g/mol
LogP2.53
Rot. Bonds7

About 3-(benzylsulfamoyl)-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide

3-(benzylsulfamoyl)-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide (PubChem CID 60604981) has the molecular formula C20H22F3N3O3S and a molecular weight of 441.48 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name3-(benzylsulfamoyl)-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide
PubChem CID60604981
Molecular FormulaC20H22F3N3O3S
Molecular Weight441.48 g/mol
Exact Mass441.13
IUPAC Name3-(benzylsulfamoyl)-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide
SMILESO=C(NC1CCN(CC(F)(F)F)C1)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C20H22F3N3O3S/c21-20(22,23)14-26-10-9-17(13-26)25-19(27)16-7-4-8-18(11-16)30(28,29)24-12-15-5-2-1-3-6-15/h1-8,11,17,24H,9-10,12-14H2,(H,25,27)
InChIKeyXRVXHHGEGYCNAW-UHFFFAOYSA-N
XLogP2.53
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzylsulfamoyl)-N-cyclopropylbenzamide
CID 9165600
1-[2-(benzylsulfamoyl)ethyl]-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111914162
3-[[[N'-methyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]carbamimidoyl]amino]methyl]-N-propylbenzamide
CID 111914968
3-(benzylsulfamoyl)-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 9404478
N-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide
CID 2442245
1-(1-benzylpiperidin-4-yl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 48953524
3-(4-acetylpiperazin-1-yl)sulfonyl-N-[(3R)-1-benzylpyrrolidin-3-yl]benzamide
CID 41202634
1-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 111914279
N-[2-(aminomethyl)cyclopentyl]-3-(benzylsulfamoyl)benzamide
CID 119602999
1-[3-(benzylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119353982
N-benzyl-3-[[N'-methyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]carbamimidoyl]amino]propanamide;hydroiodide
CID 111916094
N-[(3R)-1-benzylpyrrolidin-3-yl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 41194380

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide?
The IUPAC name of 3-(benzylsulfamoyl)-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide (CID 60604981) is 3-(benzylsulfamoyl)-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 3-(benzylsulfamoyl)-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide?
The canonical SMILES for 3-(benzylsulfamoyl)-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide is O=C(NC1CCN(CC(F)(F)F)C1)c1cccc(S(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of 3-(benzylsulfamoyl)-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide?
The InChIKey is XRVXHHGEGYCNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O3S/c21-20(22,23)14-26-10-9-17(13-26)25-19(27)16-7-4-8-18(11-16)30(28,29)24-12-15-5-2-1-3-6-15/h1-8,11,17,24H,9-10,12-14H2,(H,25,27).
What are the key properties of 3-(benzylsulfamoyl)-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide?
3-(benzylsulfamoyl)-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide has a molecular weight of 441.48 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfamoyl)-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 60604981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).