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

C13H18Cl2FNO2S — CID 106146182

IUPAC2-chloro-N-(5-chloro-2,2-dimethylpentyl)-5-fluorobenzenesulfonamide
SMILESCC(C)(CCCCl)CNS(=O)(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C13H18Cl2FNO2S/c1-13(2,6-3-7-14)9-17-20(18,19)12-8-10(16)4-5-11(12)15/h4-5,8,17H,3,6-7,9H2,1-2H3
InChIKeyPXNXGMJMOVWBNB-UHFFFAOYSA-N
MW342.26 g/mol
LogP3.80
Rot. Bonds7

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

2-chloro-N-(5-chloro-2,2-dimethylpentyl)-5-fluorobenzenesulfonamide (PubChem CID 106146182) has the molecular formula C13H18Cl2FNO2S and a molecular weight of 342.26 g/mol. Its IUPAC name is 2-chloro-N-(5-chloro-2,2-dimethylpentyl)-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(5-chloro-2,2-dimethylpentyl)-5-fluorobenzenesulfonamide
PubChem CID106146182
Molecular FormulaC13H18Cl2FNO2S
Molecular Weight342.26 g/mol
Exact Mass341.04
IUPAC Name2-chloro-N-(5-chloro-2,2-dimethylpentyl)-5-fluorobenzenesulfonamide
SMILESCC(C)(CCCCl)CNS(=O)(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C13H18Cl2FNO2S/c1-13(2,6-3-7-14)9-17-20(18,19)12-8-10(16)4-5-11(12)15/h4-5,8,17H,3,6-7,9H2,1-2H3
InChIKeyPXNXGMJMOVWBNB-UHFFFAOYSA-N
XLogP3.80
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.26
LogP ≤ 53.80
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)benzenesulfonamide
CID 114149858
N-(5-chloro-2,2-dimethylpentyl)-3,4-difluorobenzenesulfonamide
CID 106146125
N-(5-bromo-2,2-dimethylpentyl)-2,5-difluorobenzenesulfonamide
CID 106146364
N-(5-amino-2,2-dimethylpentyl)-5-fluoro-2-methylbenzenesulfonamide
CID 106141876
2,5-dichloro-N-(5-chloro-2,2-dimethylpentyl)thiophene-3-sulfonamide
CID 114149844
N-(5-bromo-2,2-dimethylpentyl)-2,4-difluorobenzenesulfonamide
CID 106146325
2-chloro-5-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 115752308
2-chloro-N-(4-chloro-2-ethylbutyl)-5-fluorobenzenesulfonamide
CID 105400660
5-amino-2-chloro-N-(4-hydroxy-2,2-dimethylbutyl)benzenesulfonamide
CID 106139709
N-(2-aminoethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride
CID 86780565
2-chloro-5-fluoro-N-(6-iodohexyl)benzenesulfonamide
CID 107849069
N-(5-chloro-2,2-dimethylpentyl)-5-methylthiophene-2-sulfonamide
CID 106146122

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-chloro-2,2-dimethylpentyl)-5-fluorobenzenesulfonamide?
The IUPAC name of 2-chloro-N-(5-chloro-2,2-dimethylpentyl)-5-fluorobenzenesulfonamide (CID 106146182) is 2-chloro-N-(5-chloro-2,2-dimethylpentyl)-5-fluorobenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(5-chloro-2,2-dimethylpentyl)-5-fluorobenzenesulfonamide?
The canonical SMILES for 2-chloro-N-(5-chloro-2,2-dimethylpentyl)-5-fluorobenzenesulfonamide is CC(C)(CCCCl)CNS(=O)(=O)c1cc(F)ccc1Cl.
What is the InChIKey of 2-chloro-N-(5-chloro-2,2-dimethylpentyl)-5-fluorobenzenesulfonamide?
The InChIKey is PXNXGMJMOVWBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2FNO2S/c1-13(2,6-3-7-14)9-17-20(18,19)12-8-10(16)4-5-11(12)15/h4-5,8,17H,3,6-7,9H2,1-2H3.
What are the key properties of 2-chloro-N-(5-chloro-2,2-dimethylpentyl)-5-fluorobenzenesulfonamide?
2-chloro-N-(5-chloro-2,2-dimethylpentyl)-5-fluorobenzenesulfonamide has a molecular weight of 342.26 g/mol, XLogP of 3.80, 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)-5-fluorobenzenesulfonamide is sourced from PubChem (CID 106146182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).