2-chloro-N-(4-chloro-2-ethylbutyl)-5-fluorobenzenesulfonamide

C12H16Cl2FNO2S — CID 105400660

IUPAC2-chloro-N-(4-chloro-2-ethylbutyl)-5-fluorobenzenesulfonamide
SMILESCCC(CCCl)CNS(=O)(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C12H16Cl2FNO2S/c1-2-9(5-6-13)8-16-19(17,18)12-7-10(15)3-4-11(12)14/h3-4,7,9,16H,2,5-6,8H2,1H3
InChIKeyFTRSQBNXHQFIRU-UHFFFAOYSA-N
MW328.24 g/mol
LogP3.41
Rot. Bonds7

About 2-chloro-N-(4-chloro-2-ethylbutyl)-5-fluorobenzenesulfonamide

2-chloro-N-(4-chloro-2-ethylbutyl)-5-fluorobenzenesulfonamide (PubChem CID 105400660) has the molecular formula C12H16Cl2FNO2S and a molecular weight of 328.24 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-2-ethylbutyl)-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(4-chloro-2-ethylbutyl)-5-fluorobenzenesulfonamide
PubChem CID105400660
Molecular FormulaC12H16Cl2FNO2S
Molecular Weight328.24 g/mol
Exact Mass327.03
IUPAC Name2-chloro-N-(4-chloro-2-ethylbutyl)-5-fluorobenzenesulfonamide
SMILESCCC(CCCl)CNS(=O)(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C12H16Cl2FNO2S/c1-2-9(5-6-13)8-16-19(17,18)12-7-10(15)3-4-11(12)14/h3-4,7,9,16H,2,5-6,8H2,1H3
InChIKeyFTRSQBNXHQFIRU-UHFFFAOYSA-N
XLogP3.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 53.41
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-(2-ethyl-4-hydroxybutyl)-5-fluorobenzenesulfonamide
CID 115701461
2-chloro-N-(3-ethyl-2-hydroxypentyl)-5-fluorobenzenesulfonamide
CID 103835211
N-(2-aminopentyl)-2-chloro-5-fluorobenzenesulfonamide
CID 86780772
2-chloro-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102697607
N-(2-ethylbutyl)-2,4-difluorobenzenesulfonamide
CID 84547716
N-(2-bromo-2-cyclopropylethyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105400692
2-chloro-5-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 115752308
N-(2-amino-2-phenylethyl)-2-chloro-5-fluorobenzenesulfonamide
CID 75431000
2-chloro-N-(5-chloro-2,2-dimethylpentyl)-5-fluorobenzenesulfonamide
CID 106146182
methyl 2-(2-ethylbutylsulfamoyl)-4-fluorobenzoate
CID 103833610
N-(2-aminoethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride
CID 86780565
2-chloro-5-fluoro-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide
CID 106386170

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chloro-2-ethylbutyl)-5-fluorobenzenesulfonamide?
The IUPAC name of 2-chloro-N-(4-chloro-2-ethylbutyl)-5-fluorobenzenesulfonamide (CID 105400660) is 2-chloro-N-(4-chloro-2-ethylbutyl)-5-fluorobenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(4-chloro-2-ethylbutyl)-5-fluorobenzenesulfonamide?
The canonical SMILES for 2-chloro-N-(4-chloro-2-ethylbutyl)-5-fluorobenzenesulfonamide is CCC(CCCl)CNS(=O)(=O)c1cc(F)ccc1Cl.
What is the InChIKey of 2-chloro-N-(4-chloro-2-ethylbutyl)-5-fluorobenzenesulfonamide?
The InChIKey is FTRSQBNXHQFIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2FNO2S/c1-2-9(5-6-13)8-16-19(17,18)12-7-10(15)3-4-11(12)14/h3-4,7,9,16H,2,5-6,8H2,1H3.
What are the key properties of 2-chloro-N-(4-chloro-2-ethylbutyl)-5-fluorobenzenesulfonamide?
2-chloro-N-(4-chloro-2-ethylbutyl)-5-fluorobenzenesulfonamide has a molecular weight of 328.24 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chloro-2-ethylbutyl)-5-fluorobenzenesulfonamide is sourced from PubChem (CID 105400660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).