2,5-dibromo-N-(2-bromo-2-cyclopropylethyl)benzenesulfonamide

C11H12Br3NO2S — CID 114294646

IUPAC2,5-dibromo-N-(2-bromo-2-cyclopropylethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(Br)C1CC1)c1cc(Br)ccc1Br
InChIInChI=1S/C11H12Br3NO2S/c12-8-3-4-9(13)11(5-8)18(16,17)15-6-10(14)7-1-2-7/h3-5,7,10,15H,1-2,6H2
InChIKeyPEXSGWBBNVJVQR-UHFFFAOYSA-N
MW462.00 g/mol
LogP3.66
Rot. Bonds5

About 2,5-dibromo-N-(2-bromo-2-cyclopropylethyl)benzenesulfonamide

2,5-dibromo-N-(2-bromo-2-cyclopropylethyl)benzenesulfonamide (PubChem CID 114294646) has the molecular formula C11H12Br3NO2S and a molecular weight of 462.00 g/mol. Its IUPAC name is 2,5-dibromo-N-(2-bromo-2-cyclopropylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-(2-bromo-2-cyclopropylethyl)benzenesulfonamide
PubChem CID114294646
Molecular FormulaC11H12Br3NO2S
Molecular Weight462.00 g/mol
Exact Mass458.81
IUPAC Name2,5-dibromo-N-(2-bromo-2-cyclopropylethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(Br)C1CC1)c1cc(Br)ccc1Br
InChIInChI=1S/C11H12Br3NO2S/c12-8-3-4-9(13)11(5-8)18(16,17)15-6-10(14)7-1-2-7/h3-5,7,10,15H,1-2,6H2
InChIKeyPEXSGWBBNVJVQR-UHFFFAOYSA-N
XLogP3.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.00
LogP ≤ 53.66
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-[2-[(2,5-dibromophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 100820102
2,5-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824924
2,5-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824923
5-bromo-N-(2-cyclopropylpropyl)-2-methylbenzenesulfonamide
CID 113226818
2,5-dibromo-N-(4-bromo-2-methylbutyl)benzenesulfonamide
CID 114295168
2,5-dibromo-N-(3-cyclopropylpropyl)benzenesulfonamide
CID 113239002
N-(2-bromo-2-cyclopropylethyl)-5-fluoro-2-methylbenzenesulfonamide
CID 113271162
N-(2-bromo-2-cyclopropylethyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105400692
5-amino-2-bromo-N-(2-cyclopropyl-2-hydroxyethyl)benzenesulfonamide
CID 65206649
2,5-dibromo-N-(3-bromobutyl)benzenesulfonamide
CID 114297785
2,5-dibromo-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 55210127
N-(2-amino-2-cyclopropylethyl)-5-bromo-2-chlorobenzenesulfonamide;hydrochloride
CID 120582899

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(2-bromo-2-cyclopropylethyl)benzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-(2-bromo-2-cyclopropylethyl)benzenesulfonamide (CID 114294646) is 2,5-dibromo-N-(2-bromo-2-cyclopropylethyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-(2-bromo-2-cyclopropylethyl)benzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-(2-bromo-2-cyclopropylethyl)benzenesulfonamide is O=S(=O)(NCC(Br)C1CC1)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-(2-bromo-2-cyclopropylethyl)benzenesulfonamide?
The InChIKey is PEXSGWBBNVJVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br3NO2S/c12-8-3-4-9(13)11(5-8)18(16,17)15-6-10(14)7-1-2-7/h3-5,7,10,15H,1-2,6H2.
What are the key properties of 2,5-dibromo-N-(2-bromo-2-cyclopropylethyl)benzenesulfonamide?
2,5-dibromo-N-(2-bromo-2-cyclopropylethyl)benzenesulfonamide has a molecular weight of 462.00 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(2-bromo-2-cyclopropylethyl)benzenesulfonamide is sourced from PubChem (CID 114294646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).