4-amino-3-bromo-N-[(E)-pent-3-enyl]benzenesulfonamide

C11H15BrN2O2S — CID 113465284

IUPAC4-amino-3-bromo-N-[(E)-pent-3-enyl]benzenesulfonamide
SMILESC/C=C/CCNS(=O)(=O)c1ccc(N)c(Br)c1
InChIInChI=1S/C11H15BrN2O2S/c1-2-3-4-7-14-17(15,16)9-5-6-11(13)10(12)8-9/h2-3,5-6,8,14H,4,7,13H2,1H3/b3-2+
InChIKeyFUXOYQCXOVTULO-NSCUHMNNSA-N
MW319.22 g/mol
LogP2.28
Rot. Bonds5

About 4-amino-3-bromo-N-[(E)-pent-3-enyl]benzenesulfonamide

4-amino-3-bromo-N-[(E)-pent-3-enyl]benzenesulfonamide (PubChem CID 113465284) has the molecular formula C11H15BrN2O2S and a molecular weight of 319.22 g/mol. Its IUPAC name is 4-amino-3-bromo-N-[(E)-pent-3-enyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-bromo-N-[(E)-pent-3-enyl]benzenesulfonamide
PubChem CID113465284
Molecular FormulaC11H15BrN2O2S
Molecular Weight319.22 g/mol
Exact Mass318.00
IUPAC Name4-amino-3-bromo-N-[(E)-pent-3-enyl]benzenesulfonamide
SMILESC/C=C/CCNS(=O)(=O)c1ccc(N)c(Br)c1
InChIInChI=1S/C11H15BrN2O2S/c1-2-3-4-7-14-17(15,16)9-5-6-11(13)10(12)8-9/h2-3,5-6,8,14H,4,7,13H2,1H3/b3-2+
InChIKeyFUXOYQCXOVTULO-NSCUHMNNSA-N
XLogP2.28
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.22
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-bromo-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106333201
3,5-difluoro-N-[(E)-pent-3-enyl]benzenesulfonamide
CID 115628668
4-fluoro-3-nitro-N-[(E)-pent-3-enyl]benzenesulfonamide
CID 113465539
4-chloro-N-[(E)-pent-3-enyl]-3-(trifluoromethyl)benzenesulfonamide
CID 115628739
3-chloro-4-cyano-N-[(E)-pent-3-enyl]benzenesulfonamide
CID 115628680
N-[4-[[(E)-pent-3-enyl]sulfamoyl]phenyl]acetamide
CID 115628736
2-fluoro-5-methylsulfonyl-N-[(E)-pent-3-enyl]benzenesulfonamide
CID 113465537
3-methyl-N-[(E)-pent-3-enyl]-4-propan-2-yloxybenzenesulfonamide
CID 113236594
2-N-[(E)-pent-3-enyl]benzene-1,2-disulfonamide
CID 113465908
4-amino-N-benzyl-3-bromobenzenesulfonamide
CID 62058559
4-amino-3-bromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 113449858
4-amino-3-bromo-N-(2-ethyl-2-hydroxybutyl)benzenesulfonamide
CID 65102662

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-bromo-N-[(E)-pent-3-enyl]benzenesulfonamide?
The IUPAC name of 4-amino-3-bromo-N-[(E)-pent-3-enyl]benzenesulfonamide (CID 113465284) is 4-amino-3-bromo-N-[(E)-pent-3-enyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-3-bromo-N-[(E)-pent-3-enyl]benzenesulfonamide?
The canonical SMILES for 4-amino-3-bromo-N-[(E)-pent-3-enyl]benzenesulfonamide is C/C=C/CCNS(=O)(=O)c1ccc(N)c(Br)c1.
What is the InChIKey of 4-amino-3-bromo-N-[(E)-pent-3-enyl]benzenesulfonamide?
The InChIKey is FUXOYQCXOVTULO-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H15BrN2O2S/c1-2-3-4-7-14-17(15,16)9-5-6-11(13)10(12)8-9/h2-3,5-6,8,14H,4,7,13H2,1H3/b3-2+.
What are the key properties of 4-amino-3-bromo-N-[(E)-pent-3-enyl]benzenesulfonamide?
4-amino-3-bromo-N-[(E)-pent-3-enyl]benzenesulfonamide has a molecular weight of 319.22 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-bromo-N-[(E)-pent-3-enyl]benzenesulfonamide is sourced from PubChem (CID 113465284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).