2-amino-5-bromo-N-[3-(dimethylamino)propyl]benzenesulfonamide

C11H18BrN3O2S — CID 54888653

IUPAC2-amino-5-bromo-N-[3-(dimethylamino)propyl]benzenesulfonamide
SMILESCN(C)CCCNS(=O)(=O)c1cc(Br)ccc1N
InChIInChI=1S/C11H18BrN3O2S/c1-15(2)7-3-6-14-18(16,17)11-8-9(12)4-5-10(11)13/h4-5,8,14H,3,6-7,13H2,1-2H3
InChIKeyOUCOMGCBPQJCGT-UHFFFAOYSA-N
MW336.26 g/mol
LogP1.26
Rot. Bonds6

About 2-amino-5-bromo-N-[3-(dimethylamino)propyl]benzenesulfonamide

2-amino-5-bromo-N-[3-(dimethylamino)propyl]benzenesulfonamide (PubChem CID 54888653) has the molecular formula C11H18BrN3O2S and a molecular weight of 336.26 g/mol. Its IUPAC name is 2-amino-5-bromo-N-[3-(dimethylamino)propyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-[3-(dimethylamino)propyl]benzenesulfonamide
PubChem CID54888653
Molecular FormulaC11H18BrN3O2S
Molecular Weight336.26 g/mol
Exact Mass335.03
IUPAC Name2-amino-5-bromo-N-[3-(dimethylamino)propyl]benzenesulfonamide
SMILESCN(C)CCCNS(=O)(=O)c1cc(Br)ccc1N
InChIInChI=1S/C11H18BrN3O2S/c1-15(2)7-3-6-14-18(16,17)11-8-9(12)4-5-10(11)13/h4-5,8,14H,3,6-7,13H2,1-2H3
InChIKeyOUCOMGCBPQJCGT-UHFFFAOYSA-N
XLogP1.26
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.26
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[3-(dimethylamino)propyl]-2-methylbenzenesulfonamide
CID 8513346
2-amino-N-[3-(dimethylamino)propyl]-5-methylsulfonylbenzenesulfonamide
CID 62145409
2-amino-N-[3-(dimethylamino)propyl]-5-nitrobenzenesulfonamide
CID 23322298
2-amino-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 16782691
2-amino-N-[3-(dimethylamino)propyl]-5-nitrobenzenesulfonamide;hydrochloride
CID 23322297
4-[(2-amino-5-bromophenyl)sulfonylamino]butanamide
CID 54888437
2-amino-5-bromo-N-[3-(2-hydroxyethoxy)propyl]benzenesulfonamide
CID 106308704
2-amino-N-[2-(dimethylamino)ethyl]-5-fluorobenzenesulfonamide
CID 54888461
2-amino-5-bromo-N-hex-5-ynylbenzenesulfonamide
CID 114158353
2-amino-N-[4-(dimethylamino)butyl]-5-nitrobenzenesulfonamide
CID 62157894
2-amino-5-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 106333410
2-amino-5-bromo-N-[2-(ethylsulfamoyl)ethyl]benzenesulfonamide
CID 106333542

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-[3-(dimethylamino)propyl]benzenesulfonamide?
The IUPAC name of 2-amino-5-bromo-N-[3-(dimethylamino)propyl]benzenesulfonamide (CID 54888653) is 2-amino-5-bromo-N-[3-(dimethylamino)propyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-[3-(dimethylamino)propyl]benzenesulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-[3-(dimethylamino)propyl]benzenesulfonamide is CN(C)CCCNS(=O)(=O)c1cc(Br)ccc1N.
What is the InChIKey of 2-amino-5-bromo-N-[3-(dimethylamino)propyl]benzenesulfonamide?
The InChIKey is OUCOMGCBPQJCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O2S/c1-15(2)7-3-6-14-18(16,17)11-8-9(12)4-5-10(11)13/h4-5,8,14H,3,6-7,13H2,1-2H3.
What are the key properties of 2-amino-5-bromo-N-[3-(dimethylamino)propyl]benzenesulfonamide?
2-amino-5-bromo-N-[3-(dimethylamino)propyl]benzenesulfonamide has a molecular weight of 336.26 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-[3-(dimethylamino)propyl]benzenesulfonamide is sourced from PubChem (CID 54888653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).