2,5-dichloro-N-(5-chloro-2,2-dimethylpentyl)thiophene-3-sulfonamide

C11H16Cl3NO2S2 — CID 114149844

IUPAC2,5-dichloro-N-(5-chloro-2,2-dimethylpentyl)thiophene-3-sulfonamide
SMILESCC(C)(CCCCl)CNS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H16Cl3NO2S2/c1-11(2,4-3-5-12)7-15-19(16,17)8-6-9(13)18-10(8)14/h6,15H,3-5,7H2,1-2H3
InChIKeyAQYVHJNHMVZLCJ-UHFFFAOYSA-N
MW364.75 g/mol
LogP4.38
Rot. Bonds7

About 2,5-dichloro-N-(5-chloro-2,2-dimethylpentyl)thiophene-3-sulfonamide

2,5-dichloro-N-(5-chloro-2,2-dimethylpentyl)thiophene-3-sulfonamide (PubChem CID 114149844) has the molecular formula C11H16Cl3NO2S2 and a molecular weight of 364.75 g/mol. Its IUPAC name is 2,5-dichloro-N-(5-chloro-2,2-dimethylpentyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(5-chloro-2,2-dimethylpentyl)thiophene-3-sulfonamide
PubChem CID114149844
Molecular FormulaC11H16Cl3NO2S2
Molecular Weight364.75 g/mol
Exact Mass362.97
IUPAC Name2,5-dichloro-N-(5-chloro-2,2-dimethylpentyl)thiophene-3-sulfonamide
SMILESCC(C)(CCCCl)CNS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H16Cl3NO2S2/c1-11(2,4-3-5-12)7-15-19(16,17)8-6-9(13)18-10(8)14/h6,15H,3-5,7H2,1-2H3
InChIKeyAQYVHJNHMVZLCJ-UHFFFAOYSA-N
XLogP4.38
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.75
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-N-(4-hydroxy-2,2-dimethylbutyl)thiophene-3-sulfonamide
CID 113318751
2-chloro-N-(5-chloro-2,2-dimethylpentyl)benzenesulfonamide
CID 114149858
2-chloro-N-(5-chloro-2,2-dimethylpentyl)-5-fluorobenzenesulfonamide
CID 106146182
N-(5-chloro-2,2-dimethylpentyl)-5-methylthiophene-2-sulfonamide
CID 106146122
2,5-dichloro-N-ethylthiophene-3-sulfonamide
CID 2805979
2,5-dichloro-N-(3-chloro-2-methylpropyl)thiophene-3-sulfonamide
CID 65036898
4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2,2-dimethylbutanoic acid
CID 114285508
N-(5-chloro-2,2-dimethylpentyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 114149847
N-(5-chloro-2,2-dimethylpentyl)-3,4-difluorobenzenesulfonamide
CID 106146125
N-(3-aminopropyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43167116
2,5-dichloro-N-(3-iodopropyl)thiophene-3-sulfonamide
CID 114504676
4-chloro-N-(5-chloro-2,2-dimethylpentyl)-1-methylpyrazole-5-sulfonamide
CID 114172640

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(5-chloro-2,2-dimethylpentyl)thiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-(5-chloro-2,2-dimethylpentyl)thiophene-3-sulfonamide (CID 114149844) is 2,5-dichloro-N-(5-chloro-2,2-dimethylpentyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(5-chloro-2,2-dimethylpentyl)thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-(5-chloro-2,2-dimethylpentyl)thiophene-3-sulfonamide is CC(C)(CCCCl)CNS(=O)(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-(5-chloro-2,2-dimethylpentyl)thiophene-3-sulfonamide?
The InChIKey is AQYVHJNHMVZLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl3NO2S2/c1-11(2,4-3-5-12)7-15-19(16,17)8-6-9(13)18-10(8)14/h6,15H,3-5,7H2,1-2H3.
What are the key properties of 2,5-dichloro-N-(5-chloro-2,2-dimethylpentyl)thiophene-3-sulfonamide?
2,5-dichloro-N-(5-chloro-2,2-dimethylpentyl)thiophene-3-sulfonamide has a molecular weight of 364.75 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(5-chloro-2,2-dimethylpentyl)thiophene-3-sulfonamide is sourced from PubChem (CID 114149844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).