N-[bis(2-methoxyethyl)sulfamoyl]-1,1,1-trifluoromethanesulfonamide

C7H15F3N2O6S2 — CID 177461393

IUPACN-[bis(2-methoxyethyl)sulfamoyl]-1,1,1-trifluoromethanesulfonamide
SMILESCOCCN(CCOC)S(=O)(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H15F3N2O6S2/c1-17-5-3-12(4-6-18-2)20(15,16)11-19(13,14)7(8,9)10/h11H,3-6H2,1-2H3
InChIKeyYJJRPKXVXXZHQF-UHFFFAOYSA-N
MW344.33 g/mol
LogP-0.73
Rot. Bonds9

About N-[bis(2-methoxyethyl)sulfamoyl]-1,1,1-trifluoromethanesulfonamide

N-[bis(2-methoxyethyl)sulfamoyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 177461393) has the molecular formula C7H15F3N2O6S2 and a molecular weight of 344.33 g/mol. Its IUPAC name is N-[bis(2-methoxyethyl)sulfamoyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[bis(2-methoxyethyl)sulfamoyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID177461393
Molecular FormulaC7H15F3N2O6S2
Molecular Weight344.33 g/mol
Exact Mass344.03
IUPAC NameN-[bis(2-methoxyethyl)sulfamoyl]-1,1,1-trifluoromethanesulfonamide
SMILESCOCCN(CCOC)S(=O)(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H15F3N2O6S2/c1-17-5-3-12(4-6-18-2)20(15,16)11-19(13,14)7(8,9)10/h11H,3-6H2,1-2H3
InChIKeyYJJRPKXVXXZHQF-UHFFFAOYSA-N
XLogP-0.73
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(dimethylsulfamoyl)-1,1,1-trifluoromethanesulfonamide;hydron
CID 175079418
2-[[3-aminopropyl(2-methoxyethyl)sulfamoyl]amino]-2-methylpropane
CID 114804003
methanesulfonic acid;2-methoxy-N,N-dimethylethanamine
CID 174574685
2-(dimethylamino)ethanol;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 72943323
methyl N-[2-bromoethyl(2-methoxyethyl)sulfamoyl]carbamate
CID 114466862
1-[[2-hydroxyethyl(2-methoxyethyl)sulfamoyl]amino]propane
CID 114809784
1-[bis(2-methoxyethyl)sulfamoylamino]pyrrole
CID 166357419
N-(2-methoxyethyl)-N-(3-methoxypropyl)ethanesulfonamide
CID 64585942
indium(3+);bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide)
CID 131725280
1-[bis(2-methoxyethyl)sulfamoylamino]-2-(methylamino)propane
CID 120825519
N-methylmethanamine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 171932401
methyl 3-[2-methoxyethyl(methylsulfonyl)amino]propanoate
CID 78959529

Frequently Asked Questions

What is the IUPAC name of N-[bis(2-methoxyethyl)sulfamoyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[bis(2-methoxyethyl)sulfamoyl]-1,1,1-trifluoromethanesulfonamide (CID 177461393) is N-[bis(2-methoxyethyl)sulfamoyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[bis(2-methoxyethyl)sulfamoyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[bis(2-methoxyethyl)sulfamoyl]-1,1,1-trifluoromethanesulfonamide is COCCN(CCOC)S(=O)(=O)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-[bis(2-methoxyethyl)sulfamoyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is YJJRPKXVXXZHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F3N2O6S2/c1-17-5-3-12(4-6-18-2)20(15,16)11-19(13,14)7(8,9)10/h11H,3-6H2,1-2H3.
What are the key properties of N-[bis(2-methoxyethyl)sulfamoyl]-1,1,1-trifluoromethanesulfonamide?
N-[bis(2-methoxyethyl)sulfamoyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 344.33 g/mol, XLogP of -0.73, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(2-methoxyethyl)sulfamoyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 177461393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).