4-bromo-N-(3-chloro-4-methoxybutyl)-2-fluorobenzenesulfonamide

C11H14BrClFNO3S — CID 106245450

IUPAC4-bromo-N-(3-chloro-4-methoxybutyl)-2-fluorobenzenesulfonamide
SMILESCOCC(Cl)CCNS(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C11H14BrClFNO3S/c1-18-7-9(13)4-5-15-19(16,17)11-3-2-8(12)6-10(11)14/h2-3,6,9,15H,4-5,7H2,1H3
InChIKeyYUFBDQNVFDEQQA-UHFFFAOYSA-N
MW374.66 g/mol
LogP2.51
Rot. Bonds7

About 4-bromo-N-(3-chloro-4-methoxybutyl)-2-fluorobenzenesulfonamide

4-bromo-N-(3-chloro-4-methoxybutyl)-2-fluorobenzenesulfonamide (PubChem CID 106245450) has the molecular formula C11H14BrClFNO3S and a molecular weight of 374.66 g/mol. Its IUPAC name is 4-bromo-N-(3-chloro-4-methoxybutyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(3-chloro-4-methoxybutyl)-2-fluorobenzenesulfonamide
PubChem CID106245450
Molecular FormulaC11H14BrClFNO3S
Molecular Weight374.66 g/mol
Exact Mass372.96
IUPAC Name4-bromo-N-(3-chloro-4-methoxybutyl)-2-fluorobenzenesulfonamide
SMILESCOCC(Cl)CCNS(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C11H14BrClFNO3S/c1-18-7-9(13)4-5-15-19(16,17)11-3-2-8(12)6-10(11)14/h2-3,6,9,15H,4-5,7H2,1H3
InChIKeyYUFBDQNVFDEQQA-UHFFFAOYSA-N
XLogP2.51
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.66
LogP ≤ 52.51
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

4-bromo-2-fluoro-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 116528194
4-bromo-N-(2-chloropentyl)-2-fluorobenzenesulfonamide
CID 116530073
2,5-dichloro-N-(3-chloro-4-methoxybutyl)benzenesulfonamide
CID 114163434
4-bromo-2-fluoro-N-propylbenzenesulfonamide
CID 116527446
4-bromo-N-[2-(dimethylamino)ethyl]-2-fluorobenzenesulfonamide
CID 86796943
N-(3-chloro-4-methoxybutyl)-2,5-dimethylbenzenesulfonamide
CID 106245434
N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527470
4-bromo-2-fluoro-N-(4-propan-2-yloxybutyl)benzenesulfonamide
CID 104919595
4-bromo-2-fluoro-N-(5-hydroxy-4-methylpentyl)benzenesulfonamide
CID 104919371
2-[(4-bromo-2-fluorophenyl)sulfonylamino]ethanesulfonyl chloride
CID 116530088
N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide;hydrochloride
CID 120706203
4-bromo-N-ethyl-2-fluorobenzenesulfonamide
CID 116527445

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-chloro-4-methoxybutyl)-2-fluorobenzenesulfonamide?
The IUPAC name of 4-bromo-N-(3-chloro-4-methoxybutyl)-2-fluorobenzenesulfonamide (CID 106245450) is 4-bromo-N-(3-chloro-4-methoxybutyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(3-chloro-4-methoxybutyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(3-chloro-4-methoxybutyl)-2-fluorobenzenesulfonamide is COCC(Cl)CCNS(=O)(=O)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-N-(3-chloro-4-methoxybutyl)-2-fluorobenzenesulfonamide?
The InChIKey is YUFBDQNVFDEQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClFNO3S/c1-18-7-9(13)4-5-15-19(16,17)11-3-2-8(12)6-10(11)14/h2-3,6,9,15H,4-5,7H2,1H3.
What are the key properties of 4-bromo-N-(3-chloro-4-methoxybutyl)-2-fluorobenzenesulfonamide?
4-bromo-N-(3-chloro-4-methoxybutyl)-2-fluorobenzenesulfonamide has a molecular weight of 374.66 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-chloro-4-methoxybutyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 106245450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).