N-[5-[bis(trifluoromethylsulfonyl)amino]-3-methylpentyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

C10H12F12N2O8S4 — CID 126640074

IUPACN-[5-[bis(trifluoromethylsulfonyl)amino]-3-methylpentyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESCC(CCN(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)CCN(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H12F12N2O8S4/c1-6(2-4-23(33(25,26)7(11,12)13)34(27,28)8(14,15)16)3-5-24(35(29,30)9(17,18)19)36(31,32)10(20,21)22/h6H,2-5H2,1H3
InChIKeyPIWCFOFEHQKKGB-UHFFFAOYSA-N
MW644.46 g/mol
LogP2.41
Rot. Bonds10

About N-[5-[bis(trifluoromethylsulfonyl)amino]-3-methylpentyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

N-[5-[bis(trifluoromethylsulfonyl)amino]-3-methylpentyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide (PubChem CID 126640074) has the molecular formula C10H12F12N2O8S4 and a molecular weight of 644.46 g/mol. Its IUPAC name is N-[5-[bis(trifluoromethylsulfonyl)amino]-3-methylpentyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide.

Molecular Properties

Compound NameN-[5-[bis(trifluoromethylsulfonyl)amino]-3-methylpentyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
PubChem CID126640074
Molecular FormulaC10H12F12N2O8S4
Molecular Weight644.46 g/mol
Exact Mass643.93
IUPAC NameN-[5-[bis(trifluoromethylsulfonyl)amino]-3-methylpentyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESCC(CCN(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)CCN(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H12F12N2O8S4/c1-6(2-4-23(33(25,26)7(11,12)13)34(27,28)8(14,15)16)3-5-24(35(29,30)9(17,18)19)36(31,32)10(20,21)22/h6H,2-5H2,1H3
InChIKeyPIWCFOFEHQKKGB-UHFFFAOYSA-N
XLogP2.41
TPSA143.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500644.46
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-[6-[bis(trifluoromethylsulfonyl)amino]hexyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 118876046
N-[5-[bis(methylsulfonyl)amino]-3-methylpentyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 126628584
N-[6-[bis(trifluoromethylsulfonyl)amino]hexyl]-1,1,1-trifluoro-N-methylsulfonylmethanesulfonamide
CID 126640021
N-[[4-[[bis(trifluoromethylsulfonyl)amino]methyl]cyclohexyl]methyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 134244010
N-[1-[bis(trifluoromethylsulfonyl)amino]hexyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 141333242

Frequently Asked Questions

What is the IUPAC name of N-[5-[bis(trifluoromethylsulfonyl)amino]-3-methylpentyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The IUPAC name of N-[5-[bis(trifluoromethylsulfonyl)amino]-3-methylpentyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide (CID 126640074) is N-[5-[bis(trifluoromethylsulfonyl)amino]-3-methylpentyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide.
What is the SMILES notation for N-[5-[bis(trifluoromethylsulfonyl)amino]-3-methylpentyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The canonical SMILES for N-[5-[bis(trifluoromethylsulfonyl)amino]-3-methylpentyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide is CC(CCN(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)CCN(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.
What is the InChIKey of N-[5-[bis(trifluoromethylsulfonyl)amino]-3-methylpentyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The InChIKey is PIWCFOFEHQKKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F12N2O8S4/c1-6(2-4-23(33(25,26)7(11,12)13)34(27,28)8(14,15)16)3-5-24(35(29,30)9(17,18)19)36(31,32)10(20,21)22/h6H,2-5H2,1H3.
What are the key properties of N-[5-[bis(trifluoromethylsulfonyl)amino]-3-methylpentyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
N-[5-[bis(trifluoromethylsulfonyl)amino]-3-methylpentyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide has a molecular weight of 644.46 g/mol, XLogP of 2.41, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[bis(trifluoromethylsulfonyl)amino]-3-methylpentyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide is sourced from PubChem (CID 126640074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).