2-chloro-N-(5-chloro-2,2-dimethylpentyl)benzenesulfonamide

C13H19Cl2NO2S — CID 114149858

IUPAC2-chloro-N-(5-chloro-2,2-dimethylpentyl)benzenesulfonamide
SMILESCC(C)(CCCCl)CNS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C13H19Cl2NO2S/c1-13(2,8-5-9-14)10-16-19(17,18)12-7-4-3-6-11(12)15/h3-4,6-7,16H,5,8-10H2,1-2H3
InChIKeyDYENICGFHSMUCL-UHFFFAOYSA-N
MW324.27 g/mol
LogP3.66
Rot. Bonds7

About 2-chloro-N-(5-chloro-2,2-dimethylpentyl)benzenesulfonamide

2-chloro-N-(5-chloro-2,2-dimethylpentyl)benzenesulfonamide (PubChem CID 114149858) has the molecular formula C13H19Cl2NO2S and a molecular weight of 324.27 g/mol. Its IUPAC name is 2-chloro-N-(5-chloro-2,2-dimethylpentyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(5-chloro-2,2-dimethylpentyl)benzenesulfonamide
PubChem CID114149858
Molecular FormulaC13H19Cl2NO2S
Molecular Weight324.27 g/mol
Exact Mass323.05
IUPAC Name2-chloro-N-(5-chloro-2,2-dimethylpentyl)benzenesulfonamide
SMILESCC(C)(CCCCl)CNS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C13H19Cl2NO2S/c1-13(2,8-5-9-14)10-16-19(17,18)12-7-4-3-6-11(12)15/h3-4,6-7,16H,5,8-10H2,1-2H3
InChIKeyDYENICGFHSMUCL-UHFFFAOYSA-N
XLogP3.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.27
LogP ≤ 53.66
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

2-chloro-N-(5-chloro-2,2-dimethylpentyl)-5-fluorobenzenesulfonamide
CID 106146182
2,5-dichloro-N-(5-chloro-2,2-dimethylpentyl)thiophene-3-sulfonamide
CID 114149844
2-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 154576267
N-(5-chloro-2,2-dimethylpentyl)-5-methylthiophene-2-sulfonamide
CID 106146122
4-chloro-N-(5-chloro-2,2-dimethylpentyl)-1-methylpyrazole-5-sulfonamide
CID 114172640
N-(5-chloro-2,2-dimethylpentyl)-3,4-difluorobenzenesulfonamide
CID 106146125
N-(5-chloro-2,2-dimethylpentyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 114149847
5-chloro-N-[(2,6-dichlorophenyl)methyl]-2,2-dimethylpentan-1-amine
CID 106140684
N-(3-bromopropyl)-2-chlorobenzenesulfonamide
CID 43133713
N-(3-aminooxypropyl)-2-chlorobenzenesulfonamide
CID 39364398
2-chloro-N-[(2S)-3-hydroxy-2-methylpropyl]benzenesulfonamide
CID 96832456
2-chloro-N-[(2R)-3-hydroxy-2-methylpropyl]benzenesulfonamide
CID 96832457

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-chloro-2,2-dimethylpentyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(5-chloro-2,2-dimethylpentyl)benzenesulfonamide (CID 114149858) is 2-chloro-N-(5-chloro-2,2-dimethylpentyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(5-chloro-2,2-dimethylpentyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(5-chloro-2,2-dimethylpentyl)benzenesulfonamide is CC(C)(CCCCl)CNS(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(5-chloro-2,2-dimethylpentyl)benzenesulfonamide?
The InChIKey is DYENICGFHSMUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO2S/c1-13(2,8-5-9-14)10-16-19(17,18)12-7-4-3-6-11(12)15/h3-4,6-7,16H,5,8-10H2,1-2H3.
What are the key properties of 2-chloro-N-(5-chloro-2,2-dimethylpentyl)benzenesulfonamide?
2-chloro-N-(5-chloro-2,2-dimethylpentyl)benzenesulfonamide has a molecular weight of 324.27 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-chloro-2,2-dimethylpentyl)benzenesulfonamide is sourced from PubChem (CID 114149858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).