trans-(1R,2R)-N,N-dibenzyl-2-fluorocyclopropane-1-sulfonamide

C17H18FNO2S — CID 164680121

IUPACtrans-(1R,2R)-N,N-dibenzyl-2-fluorocyclopropane-1-sulfonamide
SMILESO=S(=O)([C@@H]1C[C@H]1F)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H18FNO2S/c18-16-11-17(16)22(20,21)19(12-14-7-3-1-4-8-14)13-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2/t16-,17-/m1/s1
InChIKeyGBAAYJCDUXFLIQ-IAGOWNOFSA-N
MW319.40 g/mol
LogP3.13
Rot. Bonds6

About trans-(1R,2R)-N,N-dibenzyl-2-fluorocyclopropane-1-sulfonamide

trans-(1R,2R)-N,N-dibenzyl-2-fluorocyclopropane-1-sulfonamide (PubChem CID 164680121) has the molecular formula C17H18FNO2S and a molecular weight of 319.40 g/mol. Its IUPAC name is trans-(1R,2R)-N,N-dibenzyl-2-fluorocyclopropane-1-sulfonamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N,N-dibenzyl-2-fluorocyclopropane-1-sulfonamide
PubChem CID164680121
Molecular FormulaC17H18FNO2S
Molecular Weight319.40 g/mol
Exact Mass319.10
IUPAC Nametrans-(1R,2R)-N,N-dibenzyl-2-fluorocyclopropane-1-sulfonamide
SMILESO=S(=O)([C@@H]1C[C@H]1F)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H18FNO2S/c18-16-11-17(16)22(20,21)19(12-14-7-3-1-4-8-14)13-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2/t16-,17-/m1/s1
InChIKeyGBAAYJCDUXFLIQ-IAGOWNOFSA-N
XLogP3.13
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N,N-dibenzyl-2-fluorocyclopropane-1-sulfonamide?
The IUPAC name of trans-(1R,2R)-N,N-dibenzyl-2-fluorocyclopropane-1-sulfonamide (CID 164680121) is trans-(1R,2R)-N,N-dibenzyl-2-fluorocyclopropane-1-sulfonamide.
What is the SMILES notation for trans-(1R,2R)-N,N-dibenzyl-2-fluorocyclopropane-1-sulfonamide?
The canonical SMILES for trans-(1R,2R)-N,N-dibenzyl-2-fluorocyclopropane-1-sulfonamide is O=S(=O)([C@@H]1C[C@H]1F)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of trans-(1R,2R)-N,N-dibenzyl-2-fluorocyclopropane-1-sulfonamide?
The InChIKey is GBAAYJCDUXFLIQ-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H18FNO2S/c18-16-11-17(16)22(20,21)19(12-14-7-3-1-4-8-14)13-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2/t16-,17-/m1/s1.
What are the key properties of trans-(1R,2R)-N,N-dibenzyl-2-fluorocyclopropane-1-sulfonamide?
trans-(1R,2R)-N,N-dibenzyl-2-fluorocyclopropane-1-sulfonamide has a molecular weight of 319.40 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N,N-dibenzyl-2-fluorocyclopropane-1-sulfonamide is sourced from PubChem (CID 164680121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).