1,1,1-trifluoro-N-[(3R,4R)-4-(trifluoromethylsulfonylamino)pyrrolidin-3-yl]methanesulfonamide

C6H9F6N3O4S2 — CID 15605672

IUPAC1,1,1-trifluoro-N-[(3R,4R)-4-(trifluoromethylsulfonylamino)pyrrolidin-3-yl]methanesulfonamide
SMILESO=S(=O)(N[C@@H]1CNC[C@H]1NS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H9F6N3O4S2/c7-5(8,9)20(16,17)14-3-1-13-2-4(3)15-21(18,19)6(10,11)12/h3-4,13-15H,1-2H2/t3-,4-/m1/s1
InChIKeyJHKFIKXSYRPVEM-QWWZWVQMSA-N
MW365.28 g/mol
LogP-0.79
Rot. Bonds4

About 1,1,1-trifluoro-N-[(3R,4R)-4-(trifluoromethylsulfonylamino)pyrrolidin-3-yl]methanesulfonamide

1,1,1-trifluoro-N-[(3R,4R)-4-(trifluoromethylsulfonylamino)pyrrolidin-3-yl]methanesulfonamide (PubChem CID 15605672) has the molecular formula C6H9F6N3O4S2 and a molecular weight of 365.28 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[(3R,4R)-4-(trifluoromethylsulfonylamino)pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[(3R,4R)-4-(trifluoromethylsulfonylamino)pyrrolidin-3-yl]methanesulfonamide
PubChem CID15605672
Molecular FormulaC6H9F6N3O4S2
Molecular Weight365.28 g/mol
Exact Mass364.99
IUPAC Name1,1,1-trifluoro-N-[(3R,4R)-4-(trifluoromethylsulfonylamino)pyrrolidin-3-yl]methanesulfonamide
SMILESO=S(=O)(N[C@@H]1CNC[C@H]1NS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H9F6N3O4S2/c7-5(8,9)20(16,17)14-3-1-13-2-4(3)15-21(18,19)6(10,11)12/h3-4,13-15H,1-2H2/t3-,4-/m1/s1
InChIKeyJHKFIKXSYRPVEM-QWWZWVQMSA-N
XLogP-0.79
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.28
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[(3R,4R)-4-(trifluoromethylsulfonylamino)pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[(3R,4R)-4-(trifluoromethylsulfonylamino)pyrrolidin-3-yl]methanesulfonamide (CID 15605672) is 1,1,1-trifluoro-N-[(3R,4R)-4-(trifluoromethylsulfonylamino)pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[(3R,4R)-4-(trifluoromethylsulfonylamino)pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[(3R,4R)-4-(trifluoromethylsulfonylamino)pyrrolidin-3-yl]methanesulfonamide is O=S(=O)(N[C@@H]1CNC[C@H]1NS(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[(3R,4R)-4-(trifluoromethylsulfonylamino)pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is JHKFIKXSYRPVEM-QWWZWVQMSA-N. The full InChI is InChI=1S/C6H9F6N3O4S2/c7-5(8,9)20(16,17)14-3-1-13-2-4(3)15-21(18,19)6(10,11)12/h3-4,13-15H,1-2H2/t3-,4-/m1/s1.
What are the key properties of 1,1,1-trifluoro-N-[(3R,4R)-4-(trifluoromethylsulfonylamino)pyrrolidin-3-yl]methanesulfonamide?
1,1,1-trifluoro-N-[(3R,4R)-4-(trifluoromethylsulfonylamino)pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 365.28 g/mol, XLogP of -0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[(3R,4R)-4-(trifluoromethylsulfonylamino)pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 15605672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).