N-(1-chloro-2-methylbutan-2-yl)-2,5-difluorobenzenesulfonamide

C11H14ClF2NO2S — CID 65032313

IUPACN-(1-chloro-2-methylbutan-2-yl)-2,5-difluorobenzenesulfonamide
SMILESCCC(C)(CCl)NS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C11H14ClF2NO2S/c1-3-11(2,7-12)15-18(16,17)10-6-8(13)4-5-9(10)14/h4-6,15H,3,7H2,1-2H3
InChIKeyZMZRIXQUTXEYPF-UHFFFAOYSA-N
MW297.75 g/mol
LogP2.65
Rot. Bonds5

About N-(1-chloro-2-methylbutan-2-yl)-2,5-difluorobenzenesulfonamide

N-(1-chloro-2-methylbutan-2-yl)-2,5-difluorobenzenesulfonamide (PubChem CID 65032313) has the molecular formula C11H14ClF2NO2S and a molecular weight of 297.75 g/mol. Its IUPAC name is N-(1-chloro-2-methylbutan-2-yl)-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-chloro-2-methylbutan-2-yl)-2,5-difluorobenzenesulfonamide
PubChem CID65032313
Molecular FormulaC11H14ClF2NO2S
Molecular Weight297.75 g/mol
Exact Mass297.04
IUPAC NameN-(1-chloro-2-methylbutan-2-yl)-2,5-difluorobenzenesulfonamide
SMILESCCC(C)(CCl)NS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C11H14ClF2NO2S/c1-3-11(2,7-12)15-18(16,17)10-6-8(13)4-5-9(10)14/h4-6,15H,3,7H2,1-2H3
InChIKeyZMZRIXQUTXEYPF-UHFFFAOYSA-N
XLogP2.65
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 52.65
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-chloro-2-methylbutan-2-yl)-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-(1-chloro-2-methylbutan-2-yl)-2,5-difluorobenzenesulfonamide (CID 65032313) is N-(1-chloro-2-methylbutan-2-yl)-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-(1-chloro-2-methylbutan-2-yl)-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-(1-chloro-2-methylbutan-2-yl)-2,5-difluorobenzenesulfonamide is CCC(C)(CCl)NS(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of N-(1-chloro-2-methylbutan-2-yl)-2,5-difluorobenzenesulfonamide?
The InChIKey is ZMZRIXQUTXEYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF2NO2S/c1-3-11(2,7-12)15-18(16,17)10-6-8(13)4-5-9(10)14/h4-6,15H,3,7H2,1-2H3.
What are the key properties of N-(1-chloro-2-methylbutan-2-yl)-2,5-difluorobenzenesulfonamide?
N-(1-chloro-2-methylbutan-2-yl)-2,5-difluorobenzenesulfonamide has a molecular weight of 297.75 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-2-methylbutan-2-yl)-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 65032313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).