2,4-dichloro-N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzenesulfonamide

C19H19Cl2F3N2O2S — CID 6735434

IUPAC2,4-dichloro-N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzenesulfonamide
SMILESCN(C1CCN(Cc2ccc(C(F)(F)F)cc2)C1)S(=O)(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H19Cl2F3N2O2S/c1-25(29(27,28)18-7-6-15(20)10-17(18)21)16-8-9-26(12-16)11-13-2-4-14(5-3-13)19(22,23)24/h2-7,10,16H,8-9,11-12H2,1H3
InChIKeyKGSIUPGXUBYHSG-UHFFFAOYSA-N
MW467.34 g/mol
LogP4.91
Rot. Bonds5

About 2,4-dichloro-N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzenesulfonamide

2,4-dichloro-N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzenesulfonamide (PubChem CID 6735434) has the molecular formula C19H19Cl2F3N2O2S and a molecular weight of 467.34 g/mol. Its IUPAC name is 2,4-dichloro-N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzenesulfonamide
PubChem CID6735434
Molecular FormulaC19H19Cl2F3N2O2S
Molecular Weight467.34 g/mol
Exact Mass466.05
IUPAC Name2,4-dichloro-N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzenesulfonamide
SMILESCN(C1CCN(Cc2ccc(C(F)(F)F)cc2)C1)S(=O)(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H19Cl2F3N2O2S/c1-25(29(27,28)18-7-6-15(20)10-17(18)21)16-8-9-26(12-16)11-13-2-4-14(5-3-13)19(22,23)24/h2-7,10,16H,8-9,11-12H2,1H3
InChIKeyKGSIUPGXUBYHSG-UHFFFAOYSA-N
XLogP4.91
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.34
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzenesulfonamide (CID 6735434) is 2,4-dichloro-N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzenesulfonamide is CN(C1CCN(Cc2ccc(C(F)(F)F)cc2)C1)S(=O)(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzenesulfonamide?
The InChIKey is KGSIUPGXUBYHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2F3N2O2S/c1-25(29(27,28)18-7-6-15(20)10-17(18)21)16-8-9-26(12-16)11-13-2-4-14(5-3-13)19(22,23)24/h2-7,10,16H,8-9,11-12H2,1H3.
What are the key properties of 2,4-dichloro-N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzenesulfonamide?
2,4-dichloro-N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzenesulfonamide has a molecular weight of 467.34 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 6735434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).