N-(2,4-dibromophenyl)-2-(propylamino)ethanesulfonamide

C11H16Br2N2O2S — CID 106003339

IUPACN-(2,4-dibromophenyl)-2-(propylamino)ethanesulfonamide
SMILESCCCNCCS(=O)(=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C11H16Br2N2O2S/c1-2-5-14-6-7-18(16,17)15-11-4-3-9(12)8-10(11)13/h3-4,8,14-15H,2,5-7H2,1H3
InChIKeyHRWLWRXMIRQZPH-UHFFFAOYSA-N
MW400.14 g/mol
LogP2.95
Rot. Bonds7

About N-(2,4-dibromophenyl)-2-(propylamino)ethanesulfonamide

N-(2,4-dibromophenyl)-2-(propylamino)ethanesulfonamide (PubChem CID 106003339) has the molecular formula C11H16Br2N2O2S and a molecular weight of 400.14 g/mol. Its IUPAC name is N-(2,4-dibromophenyl)-2-(propylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-(2,4-dibromophenyl)-2-(propylamino)ethanesulfonamide
PubChem CID106003339
Molecular FormulaC11H16Br2N2O2S
Molecular Weight400.14 g/mol
Exact Mass397.93
IUPAC NameN-(2,4-dibromophenyl)-2-(propylamino)ethanesulfonamide
SMILESCCCNCCS(=O)(=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C11H16Br2N2O2S/c1-2-5-14-6-7-18(16,17)15-11-4-3-9(12)8-10(11)13/h3-4,8,14-15H,2,5-7H2,1H3
InChIKeyHRWLWRXMIRQZPH-UHFFFAOYSA-N
XLogP2.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.14
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-2-ethylphenyl)-2-(propylamino)ethanesulfonamide
CID 106073420
N-(4-bromo-2-chlorophenyl)-2-(ethylamino)ethanesulfonamide
CID 54972468
4-chloro-N-(2,4-dibromophenyl)butane-1-sulfonamide
CID 116815572
4-amino-N-(2,4-dibromophenyl)butane-1-sulfonamide
CID 106003329
N-(4-bromo-3-methylphenyl)-2-(propylamino)ethanesulfonamide
CID 114141110
N-(2-bromo-5-methylphenyl)-4-(propylamino)butane-1-sulfonamide
CID 106076580
N-(2-amino-4-bromophenyl)propane-1-sulfonamide
CID 29008435
3-(propylamino)-N-(2,4,6-tribromophenyl)propane-1-sulfonamide
CID 106002412
N-(2-chloro-4-fluorophenyl)-2-(propylamino)ethanesulfonamide
CID 114138711
2-(propylamino)-N-(2,4,5-trichlorophenyl)ethanesulfonamide
CID 106057734
4-[(2,4-dibromophenyl)sulfamoyl]butanoic acid
CID 43705525
N-(4-bromo-2-fluorophenyl)butane-1-sulfonamide
CID 6468897

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dibromophenyl)-2-(propylamino)ethanesulfonamide?
The IUPAC name of N-(2,4-dibromophenyl)-2-(propylamino)ethanesulfonamide (CID 106003339) is N-(2,4-dibromophenyl)-2-(propylamino)ethanesulfonamide.
What is the SMILES notation for N-(2,4-dibromophenyl)-2-(propylamino)ethanesulfonamide?
The canonical SMILES for N-(2,4-dibromophenyl)-2-(propylamino)ethanesulfonamide is CCCNCCS(=O)(=O)Nc1ccc(Br)cc1Br.
What is the InChIKey of N-(2,4-dibromophenyl)-2-(propylamino)ethanesulfonamide?
The InChIKey is HRWLWRXMIRQZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Br2N2O2S/c1-2-5-14-6-7-18(16,17)15-11-4-3-9(12)8-10(11)13/h3-4,8,14-15H,2,5-7H2,1H3.
What are the key properties of N-(2,4-dibromophenyl)-2-(propylamino)ethanesulfonamide?
N-(2,4-dibromophenyl)-2-(propylamino)ethanesulfonamide has a molecular weight of 400.14 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dibromophenyl)-2-(propylamino)ethanesulfonamide is sourced from PubChem (CID 106003339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).