4-bromo-N-(2-chloropentyl)-2-fluorobenzenesulfonamide

C11H14BrClFNO2S — CID 116530073

IUPAC4-bromo-N-(2-chloropentyl)-2-fluorobenzenesulfonamide
SMILESCCCC(Cl)CNS(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C11H14BrClFNO2S/c1-2-3-9(13)7-15-18(16,17)11-5-4-8(12)6-10(11)14/h4-6,9,15H,2-3,7H2,1H3
InChIKeyKDYQEPVWRXUVPH-UHFFFAOYSA-N
MW358.66 g/mol
LogP3.27
Rot. Bonds6

About 4-bromo-N-(2-chloropentyl)-2-fluorobenzenesulfonamide

4-bromo-N-(2-chloropentyl)-2-fluorobenzenesulfonamide (PubChem CID 116530073) has the molecular formula C11H14BrClFNO2S and a molecular weight of 358.66 g/mol. Its IUPAC name is 4-bromo-N-(2-chloropentyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(2-chloropentyl)-2-fluorobenzenesulfonamide
PubChem CID116530073
Molecular FormulaC11H14BrClFNO2S
Molecular Weight358.66 g/mol
Exact Mass356.96
IUPAC Name4-bromo-N-(2-chloropentyl)-2-fluorobenzenesulfonamide
SMILESCCCC(Cl)CNS(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C11H14BrClFNO2S/c1-2-3-9(13)7-15-18(16,17)11-5-4-8(12)6-10(11)14/h4-6,9,15H,2-3,7H2,1H3
InChIKeyKDYQEPVWRXUVPH-UHFFFAOYSA-N
XLogP3.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.66
LogP ≤ 53.27
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

4-bromo-N-(2,2-difluoroethyl)-2-fluorobenzenesulfonamide
CID 116528761
4-bromo-2-fluoro-N-propylbenzenesulfonamide
CID 116527446
4-bromo-N-ethyl-2-fluorobenzenesulfonamide
CID 116527445
4-bromo-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102907724
4-bromo-N-(2-bromo-3-ethylpentyl)-2-fluorobenzenesulfonamide
CID 106288659
4-bromo-N-(3-chloro-4-methoxybutyl)-2-fluorobenzenesulfonamide
CID 106245450
4-bromo-2-fluoro-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide
CID 116527730
methyl 2-bromo-3-[(4-bromo-2-fluorophenyl)sulfonylamino]propanoate
CID 103493671
(2S)-2-[(4-bromo-2-fluorophenyl)sulfonylamino]pentanoic acid
CID 104934862
4-bromo-2-fluoro-N-hexan-2-ylbenzenesulfonamide
CID 116528564
4-bromo-N-[2-(dimethylamino)ethyl]-2-fluorobenzenesulfonamide
CID 86796943
N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527470

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-chloropentyl)-2-fluorobenzenesulfonamide?
The IUPAC name of 4-bromo-N-(2-chloropentyl)-2-fluorobenzenesulfonamide (CID 116530073) is 4-bromo-N-(2-chloropentyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(2-chloropentyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(2-chloropentyl)-2-fluorobenzenesulfonamide is CCCC(Cl)CNS(=O)(=O)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-N-(2-chloropentyl)-2-fluorobenzenesulfonamide?
The InChIKey is KDYQEPVWRXUVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClFNO2S/c1-2-3-9(13)7-15-18(16,17)11-5-4-8(12)6-10(11)14/h4-6,9,15H,2-3,7H2,1H3.
What are the key properties of 4-bromo-N-(2-chloropentyl)-2-fluorobenzenesulfonamide?
4-bromo-N-(2-chloropentyl)-2-fluorobenzenesulfonamide has a molecular weight of 358.66 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-chloropentyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 116530073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).