N-[[4-[[bis(trifluoromethylsulfonyl)amino]methyl]cyclohexyl]methyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

C12H14F12N2O8S4 — CID 134244010

IUPACN-[[4-[[bis(trifluoromethylsulfonyl)amino]methyl]cyclohexyl]methyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESO=S(=O)(N(CC1CCC(CN(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)CC1)S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H14F12N2O8S4/c13-9(14,15)35(27,28)25(36(29,30)10(16,17)18)5-7-1-2-8(4-3-7)6-26(37(31,32)11(19,20)21)38(33,34)12(22,23)24/h7-8H,1-6H2
InChIKeyUEWTVZMLLVMYTB-UHFFFAOYSA-N
MW670.49 g/mol
LogP2.80
Rot. Bonds8

About N-[[4-[[bis(trifluoromethylsulfonyl)amino]methyl]cyclohexyl]methyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

N-[[4-[[bis(trifluoromethylsulfonyl)amino]methyl]cyclohexyl]methyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide (PubChem CID 134244010) has the molecular formula C12H14F12N2O8S4 and a molecular weight of 670.49 g/mol. Its IUPAC name is N-[[4-[[bis(trifluoromethylsulfonyl)amino]methyl]cyclohexyl]methyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide.

Molecular Properties

Compound NameN-[[4-[[bis(trifluoromethylsulfonyl)amino]methyl]cyclohexyl]methyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
PubChem CID134244010
Molecular FormulaC12H14F12N2O8S4
Molecular Weight670.49 g/mol
Exact Mass669.94
IUPAC NameN-[[4-[[bis(trifluoromethylsulfonyl)amino]methyl]cyclohexyl]methyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESO=S(=O)(N(CC1CCC(CN(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)CC1)S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H14F12N2O8S4/c13-9(14,15)35(27,28)25(36(29,30)10(16,17)18)5-7-1-2-8(4-3-7)6-26(37(31,32)11(19,20)21)38(33,34)12(22,23)24/h7-8H,1-6H2
InChIKeyUEWTVZMLLVMYTB-UHFFFAOYSA-N
XLogP2.80
TPSA143.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500670.49
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-[[4-[[bis(trifluoromethylsulfonyl)amino]methyl]cyclohexyl]methyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[bis(trifluoromethylsulfonyl)amino]methyl]cyclohexyl]methyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The IUPAC name of N-[[4-[[bis(trifluoromethylsulfonyl)amino]methyl]cyclohexyl]methyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide (CID 134244010) is N-[[4-[[bis(trifluoromethylsulfonyl)amino]methyl]cyclohexyl]methyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide.
What is the SMILES notation for N-[[4-[[bis(trifluoromethylsulfonyl)amino]methyl]cyclohexyl]methyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The canonical SMILES for N-[[4-[[bis(trifluoromethylsulfonyl)amino]methyl]cyclohexyl]methyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide is O=S(=O)(N(CC1CCC(CN(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)CC1)S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-[[4-[[bis(trifluoromethylsulfonyl)amino]methyl]cyclohexyl]methyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The InChIKey is UEWTVZMLLVMYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F12N2O8S4/c13-9(14,15)35(27,28)25(36(29,30)10(16,17)18)5-7-1-2-8(4-3-7)6-26(37(31,32)11(19,20)21)38(33,34)12(22,23)24/h7-8H,1-6H2.
What are the key properties of N-[[4-[[bis(trifluoromethylsulfonyl)amino]methyl]cyclohexyl]methyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
N-[[4-[[bis(trifluoromethylsulfonyl)amino]methyl]cyclohexyl]methyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide has a molecular weight of 670.49 g/mol, XLogP of 2.80, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[bis(trifluoromethylsulfonyl)amino]methyl]cyclohexyl]methyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide is sourced from PubChem (CID 134244010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).