N-(1,1-difluoroethylsulfonyl)-4-methylpentane-1-sulfonamide

C8H17F2NO4S2 — CID 135209172

IUPACN-(1,1-difluoroethylsulfonyl)-4-methylpentane-1-sulfonamide
SMILESCC(C)CCCS(=O)(=O)NS(=O)(=O)C(C)(F)F
InChIInChI=1S/C8H17F2NO4S2/c1-7(2)5-4-6-16(12,13)11-17(14,15)8(3,9)10/h7,11H,4-6H2,1-3H3
InChIKeyGFUCORGOSAYYFO-UHFFFAOYSA-N
MW293.36 g/mol
LogP1.28
Rot. Bonds7

About N-(1,1-difluoroethylsulfonyl)-4-methylpentane-1-sulfonamide

N-(1,1-difluoroethylsulfonyl)-4-methylpentane-1-sulfonamide (PubChem CID 135209172) has the molecular formula C8H17F2NO4S2 and a molecular weight of 293.36 g/mol. Its IUPAC name is N-(1,1-difluoroethylsulfonyl)-4-methylpentane-1-sulfonamide.

Molecular Properties

Compound NameN-(1,1-difluoroethylsulfonyl)-4-methylpentane-1-sulfonamide
PubChem CID135209172
Molecular FormulaC8H17F2NO4S2
Molecular Weight293.36 g/mol
Exact Mass293.06
IUPAC NameN-(1,1-difluoroethylsulfonyl)-4-methylpentane-1-sulfonamide
SMILESCC(C)CCCS(=O)(=O)NS(=O)(=O)C(C)(F)F
InChIInChI=1S/C8H17F2NO4S2/c1-7(2)5-4-6-16(12,13)11-17(14,15)8(3,9)10/h7,11H,4-6H2,1-3H3
InChIKeyGFUCORGOSAYYFO-UHFFFAOYSA-N
XLogP1.28
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

11-methyl-N-(trifluoromethylsulfonyl)dodecane-1-sulfonamide
CID 158263815
4-methyl-N-methylsulfonylpentane-1-sulfonamide
CID 146494424
N-(1,1-difluoroethylsulfonyl)-1,1-difluoroethanesulfonamide
CID 58312165
N-ethyl-4-methylpentane-1-sulfonamide
CID 121353244
N-(2-hydroxyethyl)-4-methylpentane-1-sulfonamide
CID 144745139
2-methylhexane;1,1,1-trifluoroethane
CID 157031744
3-bromo-N-(trifluoromethylsulfonyl)propane-1-sulfonamide
CID 174191027
7-methyl-N-(trifluoromethylsulfonyl)octanamide
CID 146494618
4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide
CID 82903855
3-methyl-N-(4-methylpentyl)pentan-3-amine
CID 102672207
(2,7-dimethyl-2-methylsulfonyloctan-3-yl)hydrazine
CID 105331426
N-(4-chloropentyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 106135566

Frequently Asked Questions

What is the IUPAC name of N-(1,1-difluoroethylsulfonyl)-4-methylpentane-1-sulfonamide?
The IUPAC name of N-(1,1-difluoroethylsulfonyl)-4-methylpentane-1-sulfonamide (CID 135209172) is N-(1,1-difluoroethylsulfonyl)-4-methylpentane-1-sulfonamide.
What is the SMILES notation for N-(1,1-difluoroethylsulfonyl)-4-methylpentane-1-sulfonamide?
The canonical SMILES for N-(1,1-difluoroethylsulfonyl)-4-methylpentane-1-sulfonamide is CC(C)CCCS(=O)(=O)NS(=O)(=O)C(C)(F)F.
What is the InChIKey of N-(1,1-difluoroethylsulfonyl)-4-methylpentane-1-sulfonamide?
The InChIKey is GFUCORGOSAYYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NO4S2/c1-7(2)5-4-6-16(12,13)11-17(14,15)8(3,9)10/h7,11H,4-6H2,1-3H3.
What are the key properties of N-(1,1-difluoroethylsulfonyl)-4-methylpentane-1-sulfonamide?
N-(1,1-difluoroethylsulfonyl)-4-methylpentane-1-sulfonamide has a molecular weight of 293.36 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-difluoroethylsulfonyl)-4-methylpentane-1-sulfonamide is sourced from PubChem (CID 135209172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).