N-[2-(2-chloroethyl)pentyl]-1,1-difluoromethanesulfonamide

C8H16ClF2NO2S — CID 106118274

IUPACN-[2-(2-chloroethyl)pentyl]-1,1-difluoromethanesulfonamide
SMILESCCCC(CCCl)CNS(=O)(=O)C(F)F
InChIInChI=1S/C8H16ClF2NO2S/c1-2-3-7(4-5-9)6-12-15(13,14)8(10)11/h7-8,12H,2-6H2,1H3
InChIKeyIRWBWBWNXLNZDH-UHFFFAOYSA-N
MW263.74 g/mol
LogP2.17
Rot. Bonds8

About N-[2-(2-chloroethyl)pentyl]-1,1-difluoromethanesulfonamide

N-[2-(2-chloroethyl)pentyl]-1,1-difluoromethanesulfonamide (PubChem CID 106118274) has the molecular formula C8H16ClF2NO2S and a molecular weight of 263.74 g/mol. Its IUPAC name is N-[2-(2-chloroethyl)pentyl]-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-chloroethyl)pentyl]-1,1-difluoromethanesulfonamide
PubChem CID106118274
Molecular FormulaC8H16ClF2NO2S
Molecular Weight263.74 g/mol
Exact Mass263.06
IUPAC NameN-[2-(2-chloroethyl)pentyl]-1,1-difluoromethanesulfonamide
SMILESCCCC(CCCl)CNS(=O)(=O)C(F)F
InChIInChI=1S/C8H16ClF2NO2S/c1-2-3-7(4-5-9)6-12-15(13,14)8(10)11/h7-8,12H,2-6H2,1H3
InChIKeyIRWBWBWNXLNZDH-UHFFFAOYSA-N
XLogP2.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.74
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(1-chloro-4-methylpentan-2-yl)-1,1-difluoromethanesulfonamide
CID 65031240
N-[(2-chlorocyclohexyl)methyl]-1,1-difluoromethanesulfonamide
CID 65032587
N-[(2-chlorocyclopentyl)methyl]-1,1-difluoromethanesulfonamide
CID 65833499
N-[[2-(chloromethyl)cyclohexyl]methyl]-1,1-difluoromethanesulfonamide
CID 65904794
N-[[2-(chloromethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide
CID 65925144
N-(4-chloro-2-methylbutyl)-1,1-difluoromethanesulfonamide
CID 66092048
N-(4-chloro-2-ethylbutyl)-1,1-difluoromethanesulfonamide
CID 80313234
N-[(2-chlorocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83058667
N-(4-chloro-2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059431
N-(1-chloro-4-methylpentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059587
N-[(2-chlorocyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83059867
N-[2-(2-chloroethyl)pentyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 106118291

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroethyl)pentyl]-1,1-difluoromethanesulfonamide?
The IUPAC name of N-[2-(2-chloroethyl)pentyl]-1,1-difluoromethanesulfonamide (CID 106118274) is N-[2-(2-chloroethyl)pentyl]-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-[2-(2-chloroethyl)pentyl]-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-[2-(2-chloroethyl)pentyl]-1,1-difluoromethanesulfonamide is CCCC(CCCl)CNS(=O)(=O)C(F)F.
What is the InChIKey of N-[2-(2-chloroethyl)pentyl]-1,1-difluoromethanesulfonamide?
The InChIKey is IRWBWBWNXLNZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClF2NO2S/c1-2-3-7(4-5-9)6-12-15(13,14)8(10)11/h7-8,12H,2-6H2,1H3.
What are the key properties of N-[2-(2-chloroethyl)pentyl]-1,1-difluoromethanesulfonamide?
N-[2-(2-chloroethyl)pentyl]-1,1-difluoromethanesulfonamide has a molecular weight of 263.74 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroethyl)pentyl]-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 106118274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).