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

C12H15Br2NO2S — CID 113239002

IUPAC2,5-dibromo-N-(3-cyclopropylpropyl)benzenesulfonamide
SMILESO=S(=O)(NCCCC1CC1)c1cc(Br)ccc1Br
InChIInChI=1S/C12H15Br2NO2S/c13-10-5-6-11(14)12(8-10)18(16,17)15-7-1-2-9-3-4-9/h5-6,8-9,15H,1-4,7H2
InChIKeyQPBWOZRHKVVZGE-UHFFFAOYSA-N
MW397.13 g/mol
LogP3.68
Rot. Bonds6

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

2,5-dibromo-N-(3-cyclopropylpropyl)benzenesulfonamide (PubChem CID 113239002) has the molecular formula C12H15Br2NO2S and a molecular weight of 397.13 g/mol. Its IUPAC name is 2,5-dibromo-N-(3-cyclopropylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-(3-cyclopropylpropyl)benzenesulfonamide
PubChem CID113239002
Molecular FormulaC12H15Br2NO2S
Molecular Weight397.13 g/mol
Exact Mass394.92
IUPAC Name2,5-dibromo-N-(3-cyclopropylpropyl)benzenesulfonamide
SMILESO=S(=O)(NCCCC1CC1)c1cc(Br)ccc1Br
InChIInChI=1S/C12H15Br2NO2S/c13-10-5-6-11(14)12(8-10)18(16,17)15-7-1-2-9-3-4-9/h5-6,8-9,15H,1-4,7H2
InChIKeyQPBWOZRHKVVZGE-UHFFFAOYSA-N
XLogP3.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.13
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dibromo-N-(3-cyclopentylpropyl)benzenesulfonamide
CID 106012519
5-bromo-N-(3-cyclopropylpropyl)-2-methoxybenzenesulfonamide
CID 115638749
2,5-dibromo-N-[2-[(2,5-dibromophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 100820102
2,5-dibromo-N-(3-methylsulfonylpropyl)benzenesulfonamide
CID 47350573
2,5-dibromo-N-[3-(ethylamino)propyl]benzenesulfonamide
CID 43606581
2,5-dibromo-N-(4-propylcyclohexyl)benzenesulfonamide
CID 63420566
2,5-dibromo-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 55210127
5-bromo-N-(3-cyclopropylpropyl)-2-methylthiophene-3-sulfonamide
CID 115690369
2,5-dibromo-N-(2-bromo-2-cyclopropylethyl)benzenesulfonamide
CID 114294646
2,5-dibromo-N-(5-hydroxy-4-methylpentyl)benzenesulfonamide
CID 103858962
N-(3-cyclopropylpropyl)-2-fluorobenzenesulfonamide
CID 115638756
2,5-dibromo-N-(3-bromobutyl)benzenesulfonamide
CID 114297785

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(3-cyclopropylpropyl)benzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-(3-cyclopropylpropyl)benzenesulfonamide (CID 113239002) is 2,5-dibromo-N-(3-cyclopropylpropyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-(3-cyclopropylpropyl)benzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-(3-cyclopropylpropyl)benzenesulfonamide is O=S(=O)(NCCCC1CC1)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-(3-cyclopropylpropyl)benzenesulfonamide?
The InChIKey is QPBWOZRHKVVZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NO2S/c13-10-5-6-11(14)12(8-10)18(16,17)15-7-1-2-9-3-4-9/h5-6,8-9,15H,1-4,7H2.
What are the key properties of 2,5-dibromo-N-(3-cyclopropylpropyl)benzenesulfonamide?
2,5-dibromo-N-(3-cyclopropylpropyl)benzenesulfonamide has a molecular weight of 397.13 g/mol, XLogP of 3.68, 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-cyclopropylpropyl)benzenesulfonamide is sourced from PubChem (CID 113239002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).