(2S,4R)-4-(4-fluorophenyl)-N,N,2-trimethylpyrrolidine-1-sulfonamide

C13H19FN2O2S — CID 95632290

IUPAC(2S,4R)-4-(4-fluorophenyl)-N,N,2-trimethylpyrrolidine-1-sulfonamide
SMILESC[C@H]1C[C@H](c2ccc(F)cc2)CN1S(=O)(=O)N(C)C
InChIInChI=1S/C13H19FN2O2S/c1-10-8-12(11-4-6-13(14)7-5-11)9-16(10)19(17,18)15(2)3/h4-7,10,12H,8-9H2,1-3H3/t10-,12-/m0/s1
InChIKeyGUXTXYTVRQHKNX-JQWIXIFHSA-N
MW286.37 g/mol
LogP1.81
Rot. Bonds3

About (2S,4R)-4-(4-fluorophenyl)-N,N,2-trimethylpyrrolidine-1-sulfonamide

(2S,4R)-4-(4-fluorophenyl)-N,N,2-trimethylpyrrolidine-1-sulfonamide (PubChem CID 95632290) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is (2S,4R)-4-(4-fluorophenyl)-N,N,2-trimethylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(2S,4R)-4-(4-fluorophenyl)-N,N,2-trimethylpyrrolidine-1-sulfonamide
PubChem CID95632290
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Name(2S,4R)-4-(4-fluorophenyl)-N,N,2-trimethylpyrrolidine-1-sulfonamide
SMILESC[C@H]1C[C@H](c2ccc(F)cc2)CN1S(=O)(=O)N(C)C
InChIInChI=1S/C13H19FN2O2S/c1-10-8-12(11-4-6-13(14)7-5-11)9-16(10)19(17,18)15(2)3/h4-7,10,12H,8-9H2,1-3H3/t10-,12-/m0/s1
InChIKeyGUXTXYTVRQHKNX-JQWIXIFHSA-N
XLogP1.81
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-(4-fluorophenyl)-N,N,2-trimethylpyrrolidine-1-sulfonamide?
The IUPAC name of (2S,4R)-4-(4-fluorophenyl)-N,N,2-trimethylpyrrolidine-1-sulfonamide (CID 95632290) is (2S,4R)-4-(4-fluorophenyl)-N,N,2-trimethylpyrrolidine-1-sulfonamide.
What is the SMILES notation for (2S,4R)-4-(4-fluorophenyl)-N,N,2-trimethylpyrrolidine-1-sulfonamide?
The canonical SMILES for (2S,4R)-4-(4-fluorophenyl)-N,N,2-trimethylpyrrolidine-1-sulfonamide is C[C@H]1C[C@H](c2ccc(F)cc2)CN1S(=O)(=O)N(C)C.
What is the InChIKey of (2S,4R)-4-(4-fluorophenyl)-N,N,2-trimethylpyrrolidine-1-sulfonamide?
The InChIKey is GUXTXYTVRQHKNX-JQWIXIFHSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-10-8-12(11-4-6-13(14)7-5-11)9-16(10)19(17,18)15(2)3/h4-7,10,12H,8-9H2,1-3H3/t10-,12-/m0/s1.
What are the key properties of (2S,4R)-4-(4-fluorophenyl)-N,N,2-trimethylpyrrolidine-1-sulfonamide?
(2S,4R)-4-(4-fluorophenyl)-N,N,2-trimethylpyrrolidine-1-sulfonamide has a molecular weight of 286.37 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-(4-fluorophenyl)-N,N,2-trimethylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 95632290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).