4-amino-N-(2,4-dibromophenyl)butane-1-sulfonamide

C10H14Br2N2O2S — CID 106003329

IUPAC4-amino-N-(2,4-dibromophenyl)butane-1-sulfonamide
SMILESNCCCCS(=O)(=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C10H14Br2N2O2S/c11-8-3-4-10(9(12)7-8)14-17(15,16)6-2-1-5-13/h3-4,7,14H,1-2,5-6,13H2
InChIKeyFQPHHXGDQPJCAJ-UHFFFAOYSA-N
MW386.11 g/mol
LogP2.69
Rot. Bonds6

About 4-amino-N-(2,4-dibromophenyl)butane-1-sulfonamide

4-amino-N-(2,4-dibromophenyl)butane-1-sulfonamide (PubChem CID 106003329) has the molecular formula C10H14Br2N2O2S and a molecular weight of 386.11 g/mol. Its IUPAC name is 4-amino-N-(2,4-dibromophenyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-(2,4-dibromophenyl)butane-1-sulfonamide
PubChem CID106003329
Molecular FormulaC10H14Br2N2O2S
Molecular Weight386.11 g/mol
Exact Mass383.91
IUPAC Name4-amino-N-(2,4-dibromophenyl)butane-1-sulfonamide
SMILESNCCCCS(=O)(=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C10H14Br2N2O2S/c11-8-3-4-10(9(12)7-8)14-17(15,16)6-2-1-5-13/h3-4,7,14H,1-2,5-6,13H2
InChIKeyFQPHHXGDQPJCAJ-UHFFFAOYSA-N
XLogP2.69
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.11
LogP ≤ 52.69
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

4-chloro-N-(2,4-dibromophenyl)butane-1-sulfonamide
CID 116815572
3-amino-N-(2-bromo-4-chlorophenyl)propane-1-sulfonamide
CID 81263929
3-amino-N-(4-bromo-2-methylphenyl)propane-1-sulfonamide
CID 60910330
4-[(2,4-dibromophenyl)sulfamoyl]butanoic acid
CID 43705525
4-amino-N-(4-bromonaphthalen-1-yl)butane-1-sulfonamide
CID 106077343
N-(2,4-dibromophenyl)-2-(propylamino)ethanesulfonamide
CID 106003339
N-[2-(6-amino-2-oxohexanoyl)-4-bromophenyl]octane-1-sulfonamide
CID 160958579
N-(4-bromo-2-fluorophenyl)butane-1-sulfonamide
CID 6468897
N-(4-bromo-2-chlorophenyl)-3-chloropropane-1-sulfonamide
CID 43654223
1-amino-N-(2,4-dibromophenyl)propane-2-sulfonamide
CID 106003304
N-(2-amino-4-bromophenyl)propane-1-sulfonamide
CID 29008435
N-(4-amino-2-bromophenyl)-2-methylsulfonylethanesulfonamide
CID 63245426

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,4-dibromophenyl)butane-1-sulfonamide?
The IUPAC name of 4-amino-N-(2,4-dibromophenyl)butane-1-sulfonamide (CID 106003329) is 4-amino-N-(2,4-dibromophenyl)butane-1-sulfonamide.
What is the SMILES notation for 4-amino-N-(2,4-dibromophenyl)butane-1-sulfonamide?
The canonical SMILES for 4-amino-N-(2,4-dibromophenyl)butane-1-sulfonamide is NCCCCS(=O)(=O)Nc1ccc(Br)cc1Br.
What is the InChIKey of 4-amino-N-(2,4-dibromophenyl)butane-1-sulfonamide?
The InChIKey is FQPHHXGDQPJCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Br2N2O2S/c11-8-3-4-10(9(12)7-8)14-17(15,16)6-2-1-5-13/h3-4,7,14H,1-2,5-6,13H2.
What are the key properties of 4-amino-N-(2,4-dibromophenyl)butane-1-sulfonamide?
4-amino-N-(2,4-dibromophenyl)butane-1-sulfonamide has a molecular weight of 386.11 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,4-dibromophenyl)butane-1-sulfonamide is sourced from PubChem (CID 106003329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).