(3R)-3-fluoro-N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]pyrrolidine-1-sulfonamide

C13H16F4N2O2S — CID 100744576

IUPAC(3R)-3-fluoro-N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]pyrrolidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C13H16F4N2O2S/c1-18(2)22(20,21)19-7-6-12(14,9-19)10-4-3-5-11(8-10)13(15,16)17/h3-5,8H,6-7,9H2,1-2H3/t12-/m0/s1
InChIKeySVBRNKSOBVUQTP-LBPRGKRZSA-N
MW340.34 g/mol
LogP2.38
Rot. Bonds3

About (3R)-3-fluoro-N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]pyrrolidine-1-sulfonamide

(3R)-3-fluoro-N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]pyrrolidine-1-sulfonamide (PubChem CID 100744576) has the molecular formula C13H16F4N2O2S and a molecular weight of 340.34 g/mol. Its IUPAC name is (3R)-3-fluoro-N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(3R)-3-fluoro-N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]pyrrolidine-1-sulfonamide
PubChem CID100744576
Molecular FormulaC13H16F4N2O2S
Molecular Weight340.34 g/mol
Exact Mass340.09
IUPAC Name(3R)-3-fluoro-N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]pyrrolidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C13H16F4N2O2S/c1-18(2)22(20,21)19-7-6-12(14,9-19)10-4-3-5-11(8-10)13(15,16)17/h3-5,8H,6-7,9H2,1-2H3/t12-/m0/s1
InChIKeySVBRNKSOBVUQTP-LBPRGKRZSA-N
XLogP2.38
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-fluoro-N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]pyrrolidine-1-sulfonamide?
The IUPAC name of (3R)-3-fluoro-N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]pyrrolidine-1-sulfonamide (CID 100744576) is (3R)-3-fluoro-N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for (3R)-3-fluoro-N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for (3R)-3-fluoro-N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]pyrrolidine-1-sulfonamide is CN(C)S(=O)(=O)N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of (3R)-3-fluoro-N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]pyrrolidine-1-sulfonamide?
The InChIKey is SVBRNKSOBVUQTP-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H16F4N2O2S/c1-18(2)22(20,21)19-7-6-12(14,9-19)10-4-3-5-11(8-10)13(15,16)17/h3-5,8H,6-7,9H2,1-2H3/t12-/m0/s1.
What are the key properties of (3R)-3-fluoro-N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]pyrrolidine-1-sulfonamide?
(3R)-3-fluoro-N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]pyrrolidine-1-sulfonamide has a molecular weight of 340.34 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-fluoro-N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 100744576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).