N-(2-bromopentyl)-2,4-dichloro-3-fluorobenzenesulfonamide

C11H13BrCl2FNO2S — CID 103089842

IUPACN-(2-bromopentyl)-2,4-dichloro-3-fluorobenzenesulfonamide
SMILESCCCC(Br)CNS(=O)(=O)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C11H13BrCl2FNO2S/c1-2-3-7(12)6-16-19(17,18)9-5-4-8(13)11(15)10(9)14/h4-5,7,16H,2-3,6H2,1H3
InChIKeyXTGUMYDIMUMYRX-UHFFFAOYSA-N
MW393.11 g/mol
LogP3.97
Rot. Bonds6

About N-(2-bromopentyl)-2,4-dichloro-3-fluorobenzenesulfonamide

N-(2-bromopentyl)-2,4-dichloro-3-fluorobenzenesulfonamide (PubChem CID 103089842) has the molecular formula C11H13BrCl2FNO2S and a molecular weight of 393.11 g/mol. Its IUPAC name is N-(2-bromopentyl)-2,4-dichloro-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromopentyl)-2,4-dichloro-3-fluorobenzenesulfonamide
PubChem CID103089842
Molecular FormulaC11H13BrCl2FNO2S
Molecular Weight393.11 g/mol
Exact Mass390.92
IUPAC NameN-(2-bromopentyl)-2,4-dichloro-3-fluorobenzenesulfonamide
SMILESCCCC(Br)CNS(=O)(=O)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C11H13BrCl2FNO2S/c1-2-3-7(12)6-16-19(17,18)9-5-4-8(13)11(15)10(9)14/h4-5,7,16H,2-3,6H2,1H3
InChIKeyXTGUMYDIMUMYRX-UHFFFAOYSA-N
XLogP3.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.11
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N-(2-bromopentyl)-2,4-dichloro-3-fluorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bromo-4,4-dimethylpentyl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 107158110
N-(1-bromobutan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103089775
N-(2-amino-2-cyclopropylethyl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103089145
N-(3-bromo-4-chlorophenyl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103088310
(2S)-4-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]-2-hydroxybutanoic acid
CID 103215117
2,4-dichloro-3-fluoro-N-(3-hydroxypropyl)benzenesulfonamide
CID 103088486
N-[(2R)-1-aminopropan-2-yl]-2,4-dichloro-3-fluorobenzenesulfonamide;hydrochloride
CID 120712872
N-(2-aminopentyl)-2-chloro-5-fluorobenzenesulfonamide
CID 86780772
N-[(2-bromophenyl)methyl]-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103088278
N-(1-amino-3-methylbutan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103089053
N-(4-aminobutyl)-2,4-dichloro-3-fluorobenzenesulfonamide;hydrochloride
CID 120713472
N-(6-bromo-3-pyridinyl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103223782

Frequently Asked Questions

What is the IUPAC name of N-(2-bromopentyl)-2,4-dichloro-3-fluorobenzenesulfonamide?
The IUPAC name of N-(2-bromopentyl)-2,4-dichloro-3-fluorobenzenesulfonamide (CID 103089842) is N-(2-bromopentyl)-2,4-dichloro-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2-bromopentyl)-2,4-dichloro-3-fluorobenzenesulfonamide?
The canonical SMILES for N-(2-bromopentyl)-2,4-dichloro-3-fluorobenzenesulfonamide is CCCC(Br)CNS(=O)(=O)c1ccc(Cl)c(F)c1Cl.
What is the InChIKey of N-(2-bromopentyl)-2,4-dichloro-3-fluorobenzenesulfonamide?
The InChIKey is XTGUMYDIMUMYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrCl2FNO2S/c1-2-3-7(12)6-16-19(17,18)9-5-4-8(13)11(15)10(9)14/h4-5,7,16H,2-3,6H2,1H3.
What are the key properties of N-(2-bromopentyl)-2,4-dichloro-3-fluorobenzenesulfonamide?
N-(2-bromopentyl)-2,4-dichloro-3-fluorobenzenesulfonamide has a molecular weight of 393.11 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromopentyl)-2,4-dichloro-3-fluorobenzenesulfonamide is sourced from PubChem (CID 103089842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).