2,5-dibromo-N-(2-methylpropoxy)benzenesulfonamide

C10H13Br2NO3S — CID 82715356

IUPAC2,5-dibromo-N-(2-methylpropoxy)benzenesulfonamide
SMILESCC(C)CONS(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C10H13Br2NO3S/c1-7(2)6-16-13-17(14,15)10-5-8(11)3-4-9(10)12/h3-5,7,13H,6H2,1-2H3
InChIKeyJFTBNUYPXQFVCD-UHFFFAOYSA-N
MW387.09 g/mol
LogP3.08
Rot. Bonds5

About 2,5-dibromo-N-(2-methylpropoxy)benzenesulfonamide

2,5-dibromo-N-(2-methylpropoxy)benzenesulfonamide (PubChem CID 82715356) has the molecular formula C10H13Br2NO3S and a molecular weight of 387.09 g/mol. Its IUPAC name is 2,5-dibromo-N-(2-methylpropoxy)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-(2-methylpropoxy)benzenesulfonamide
PubChem CID82715356
Molecular FormulaC10H13Br2NO3S
Molecular Weight387.09 g/mol
Exact Mass384.90
IUPAC Name2,5-dibromo-N-(2-methylpropoxy)benzenesulfonamide
SMILESCC(C)CONS(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C10H13Br2NO3S/c1-7(2)6-16-13-17(14,15)10-5-8(11)3-4-9(10)12/h3-5,7,13H,6H2,1-2H3
InChIKeyJFTBNUYPXQFVCD-UHFFFAOYSA-N
XLogP3.08
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.09
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,5-dibromo-N-ethoxybenzenesulfonamide
CID 60700593
4-bromo-2-chloro-N-(2-methylpropoxy)benzenesulfonamide
CID 82714564
2,5-dibromo-4-methyl-N-(2-methylpropoxy)benzenesulfonamide
CID 82714913
2-methylpropyl 2,5-dibromobenzenesulfonate
CID 87077272
2,5-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824924
2,5-dibromo-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide
CID 82950147
2,5-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824923
2,5-dibromo-N-(4-bromo-2-methylbutyl)benzenesulfonamide
CID 114295168
2,5-dibromo-N-[2-[(2,5-dibromophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 100820102
6-bromo-N-(2-methylpropoxy)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 83225601
3-bromo-N-(2-methylpropoxy)thiophene-2-sulfonamide
CID 82715135
2,5-dibromo-N-(3-bromobutyl)benzenesulfonamide
CID 114297785

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(2-methylpropoxy)benzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-(2-methylpropoxy)benzenesulfonamide (CID 82715356) is 2,5-dibromo-N-(2-methylpropoxy)benzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-(2-methylpropoxy)benzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-(2-methylpropoxy)benzenesulfonamide is CC(C)CONS(=O)(=O)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-(2-methylpropoxy)benzenesulfonamide?
The InChIKey is JFTBNUYPXQFVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2NO3S/c1-7(2)6-16-13-17(14,15)10-5-8(11)3-4-9(10)12/h3-5,7,13H,6H2,1-2H3.
What are the key properties of 2,5-dibromo-N-(2-methylpropoxy)benzenesulfonamide?
2,5-dibromo-N-(2-methylpropoxy)benzenesulfonamide has a molecular weight of 387.09 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(2-methylpropoxy)benzenesulfonamide is sourced from PubChem (CID 82715356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).