N-(1,3-dichloro-2-methylpropan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide

C8H14Cl2F3NO2S — CID 83059299

IUPACN-(1,3-dichloro-2-methylpropan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESCC(CCl)(CCl)NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C8H14Cl2F3NO2S/c1-7(5-9,6-10)14-17(15,16)4-2-3-8(11,12)13/h14H,2-6H2,1H3
InChIKeyJZNLNLNDGOLGQM-UHFFFAOYSA-N
MW316.17 g/mol
LogP2.48
Rot. Bonds7

About N-(1,3-dichloro-2-methylpropan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide

N-(1,3-dichloro-2-methylpropan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 83059299) has the molecular formula C8H14Cl2F3NO2S and a molecular weight of 316.17 g/mol. Its IUPAC name is N-(1,3-dichloro-2-methylpropan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(1,3-dichloro-2-methylpropan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID83059299
Molecular FormulaC8H14Cl2F3NO2S
Molecular Weight316.17 g/mol
Exact Mass315.01
IUPAC NameN-(1,3-dichloro-2-methylpropan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESCC(CCl)(CCl)NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C8H14Cl2F3NO2S/c1-7(5-9,6-10)14-17(15,16)4-2-3-8(11,12)13/h14H,2-6H2,1H3
InChIKeyJZNLNLNDGOLGQM-UHFFFAOYSA-N
XLogP2.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.17
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dichloro-2-methylpropan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(1,3-dichloro-2-methylpropan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide (CID 83059299) is N-(1,3-dichloro-2-methylpropan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(1,3-dichloro-2-methylpropan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(1,3-dichloro-2-methylpropan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide is CC(CCl)(CCl)NS(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-(1,3-dichloro-2-methylpropan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is JZNLNLNDGOLGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14Cl2F3NO2S/c1-7(5-9,6-10)14-17(15,16)4-2-3-8(11,12)13/h14H,2-6H2,1H3.
What are the key properties of N-(1,3-dichloro-2-methylpropan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide?
N-(1,3-dichloro-2-methylpropan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 316.17 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dichloro-2-methylpropan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 83059299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).