2,5-dibromo-N-(3-chloropentyl)benzenesulfonamide

C11H14Br2ClNO2S — CID 113498030

IUPAC2,5-dibromo-N-(3-chloropentyl)benzenesulfonamide
SMILESCCC(Cl)CCNS(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C11H14Br2ClNO2S/c1-2-9(14)5-6-15-18(16,17)11-7-8(12)3-4-10(11)13/h3-4,7,9,15H,2,5-6H2,1H3
InChIKeyHTWPKXVAQSSFSA-UHFFFAOYSA-N
MW419.57 g/mol
LogP3.90
Rot. Bonds6

About 2,5-dibromo-N-(3-chloropentyl)benzenesulfonamide

2,5-dibromo-N-(3-chloropentyl)benzenesulfonamide (PubChem CID 113498030) has the molecular formula C11H14Br2ClNO2S and a molecular weight of 419.57 g/mol. Its IUPAC name is 2,5-dibromo-N-(3-chloropentyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-(3-chloropentyl)benzenesulfonamide
PubChem CID113498030
Molecular FormulaC11H14Br2ClNO2S
Molecular Weight419.57 g/mol
Exact Mass416.88
IUPAC Name2,5-dibromo-N-(3-chloropentyl)benzenesulfonamide
SMILESCCC(Cl)CCNS(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C11H14Br2ClNO2S/c1-2-9(14)5-6-15-18(16,17)11-7-8(12)3-4-10(11)13/h3-4,7,9,15H,2,5-6H2,1H3
InChIKeyHTWPKXVAQSSFSA-UHFFFAOYSA-N
XLogP3.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 53.90
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

2,5-dibromo-N-(3-bromobutyl)benzenesulfonamide
CID 114297785
2,5-dibromo-N-[2-[(2,5-dibromophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 100820102
N-(3-aminobutyl)-2,5-dibromobenzenesulfonamide
CID 55169700
2,5-dibromo-N-(3-methylsulfonylpropyl)benzenesulfonamide
CID 47350573
2,5-dibromo-N-[3-(ethylamino)propyl]benzenesulfonamide
CID 43606581
2,5-dibromo-N-(5-hydroxy-4-methylpentyl)benzenesulfonamide
CID 103858962
2,5-dibromo-N-(4-bromo-2-methylbutyl)benzenesulfonamide
CID 114295168
2,5-dibromo-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 35523293
ethyl 3-[(2,5-dibromophenyl)sulfonylamino]propanoate
CID 60643187
4-bromo-N-(3-chloro-4-methoxybutyl)-2-fluorobenzenesulfonamide
CID 106245450
2,5-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824924
2,5-dibromo-N-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide
CID 104693968

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(3-chloropentyl)benzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-(3-chloropentyl)benzenesulfonamide (CID 113498030) is 2,5-dibromo-N-(3-chloropentyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-(3-chloropentyl)benzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-(3-chloropentyl)benzenesulfonamide is CCC(Cl)CCNS(=O)(=O)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-(3-chloropentyl)benzenesulfonamide?
The InChIKey is HTWPKXVAQSSFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2ClNO2S/c1-2-9(14)5-6-15-18(16,17)11-7-8(12)3-4-10(11)13/h3-4,7,9,15H,2,5-6H2,1H3.
What are the key properties of 2,5-dibromo-N-(3-chloropentyl)benzenesulfonamide?
2,5-dibromo-N-(3-chloropentyl)benzenesulfonamide has a molecular weight of 419.57 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(3-chloropentyl)benzenesulfonamide is sourced from PubChem (CID 113498030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).