2,5-dibromo-N-(3-bromopropyl)-N-cyclobutylbenzenesulfonamide

C13H16Br3NO2S — CID 102873318

IUPAC2,5-dibromo-N-(3-bromopropyl)-N-cyclobutylbenzenesulfonamide
SMILESO=S(=O)(c1cc(Br)ccc1Br)N(CCCBr)C1CCC1
InChIInChI=1S/C13H16Br3NO2S/c14-7-2-8-17(11-3-1-4-11)20(18,19)13-9-10(15)5-6-12(13)16/h5-6,9,11H,1-4,7-8H2
InChIKeyZUUUWOFRPUTCSP-UHFFFAOYSA-N
MW490.06 g/mol
LogP4.54
Rot. Bonds6

About 2,5-dibromo-N-(3-bromopropyl)-N-cyclobutylbenzenesulfonamide

2,5-dibromo-N-(3-bromopropyl)-N-cyclobutylbenzenesulfonamide (PubChem CID 102873318) has the molecular formula C13H16Br3NO2S and a molecular weight of 490.06 g/mol. Its IUPAC name is 2,5-dibromo-N-(3-bromopropyl)-N-cyclobutylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-(3-bromopropyl)-N-cyclobutylbenzenesulfonamide
PubChem CID102873318
Molecular FormulaC13H16Br3NO2S
Molecular Weight490.06 g/mol
Exact Mass486.85
IUPAC Name2,5-dibromo-N-(3-bromopropyl)-N-cyclobutylbenzenesulfonamide
SMILESO=S(=O)(c1cc(Br)ccc1Br)N(CCCBr)C1CCC1
InChIInChI=1S/C13H16Br3NO2S/c14-7-2-8-17(11-3-1-4-11)20(18,19)13-9-10(15)5-6-12(13)16/h5-6,9,11H,1-4,7-8H2
InChIKeyZUUUWOFRPUTCSP-UHFFFAOYSA-N
XLogP4.54
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.06
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dibromo-N-butyl-N-cyclopropylbenzenesulfonamide
CID 61059668
2,5-dibromo-N-(3-bromopropyl)-N-propan-2-ylbenzenesulfonamide
CID 80672347
N-(3-bromopropyl)-N-cyclobutylbenzenesulfonamide
CID 102873356
N-(3-bromopropyl)-3,5-dichloro-N-cyclobutylbenzenesulfonamide
CID 102873383
2,5-dibromo-N-[(3S)-1,1-dioxothiolan-3-yl]-N-propylbenzenesulfonamide
CID 26942262
4-bromo-N-cyclobutyl-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 102675823
2-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 61216934
4-bromo-N-(3-chloropropyl)-N-cyclobutylbenzenesulfonamide
CID 102873427
2-bromo-N-butyl-N-cyclopropylbenzenesulfonamide
CID 60751139
2,5-dibromo-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylbenzenesulfonamide
CID 129366084
2-[(5-bromo-2-methylphenyl)sulfonyl-cyclopentylamino]acetamide
CID 60539936
N-(3-bromopropyl)-N-cyclobutyl-5-fluoropyridine-3-sulfonamide
CID 102873353

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(3-bromopropyl)-N-cyclobutylbenzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-(3-bromopropyl)-N-cyclobutylbenzenesulfonamide (CID 102873318) is 2,5-dibromo-N-(3-bromopropyl)-N-cyclobutylbenzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-(3-bromopropyl)-N-cyclobutylbenzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-(3-bromopropyl)-N-cyclobutylbenzenesulfonamide is O=S(=O)(c1cc(Br)ccc1Br)N(CCCBr)C1CCC1.
What is the InChIKey of 2,5-dibromo-N-(3-bromopropyl)-N-cyclobutylbenzenesulfonamide?
The InChIKey is ZUUUWOFRPUTCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Br3NO2S/c14-7-2-8-17(11-3-1-4-11)20(18,19)13-9-10(15)5-6-12(13)16/h5-6,9,11H,1-4,7-8H2.
What are the key properties of 2,5-dibromo-N-(3-bromopropyl)-N-cyclobutylbenzenesulfonamide?
2,5-dibromo-N-(3-bromopropyl)-N-cyclobutylbenzenesulfonamide has a molecular weight of 490.06 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(3-bromopropyl)-N-cyclobutylbenzenesulfonamide is sourced from PubChem (CID 102873318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).