2-amino-5-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide

C9H14BrN3O4S2 — CID 106333410

IUPAC2-amino-5-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
SMILESCNS(=O)(=O)CCNS(=O)(=O)c1cc(Br)ccc1N
InChIInChI=1S/C9H14BrN3O4S2/c1-12-18(14,15)5-4-13-19(16,17)9-6-7(10)2-3-8(9)11/h2-3,6,12-13H,4-5,11H2,1H3
InChIKeyYNVITANFHRGRIQ-UHFFFAOYSA-N
MW372.27 g/mol
LogP-0.14
Rot. Bonds6

About 2-amino-5-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide

2-amino-5-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide (PubChem CID 106333410) has the molecular formula C9H14BrN3O4S2 and a molecular weight of 372.27 g/mol. Its IUPAC name is 2-amino-5-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
PubChem CID106333410
Molecular FormulaC9H14BrN3O4S2
Molecular Weight372.27 g/mol
Exact Mass370.96
IUPAC Name2-amino-5-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
SMILESCNS(=O)(=O)CCNS(=O)(=O)c1cc(Br)ccc1N
InChIInChI=1S/C9H14BrN3O4S2/c1-12-18(14,15)5-4-13-19(16,17)9-6-7(10)2-3-8(9)11/h2-3,6,12-13H,4-5,11H2,1H3
InChIKeyYNVITANFHRGRIQ-UHFFFAOYSA-N
XLogP-0.14
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-bromo-N-[2-(ethylsulfamoyl)ethyl]benzenesulfonamide
CID 106333542
2-amino-5-bromo-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 54888653
4-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 110292936
4-[(2-amino-5-bromophenyl)sulfonylamino]butanamide
CID 54888437
2-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 102675926
5-amino-2-fluoro-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 106333323
2-amino-5-bromo-N-hex-5-ynylbenzenesulfonamide
CID 114158353
2-amino-5-bromo-N-[(5-bromo-2-fluorophenyl)methyl]benzenesulfonamide
CID 61298867
4-bromo-2-fluoro-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 116528194
2-(4-bromo-2-cyanoanilino)-N-methylethanesulfonamide
CID 114175304
2-[2-[(2-amino-5-bromophenyl)sulfonylamino]ethoxy]acetamide
CID 106233732
2-amino-5-bromo-N-[3-(2-hydroxyethoxy)propyl]benzenesulfonamide
CID 106308704

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide?
The IUPAC name of 2-amino-5-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide (CID 106333410) is 2-amino-5-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide is CNS(=O)(=O)CCNS(=O)(=O)c1cc(Br)ccc1N.
What is the InChIKey of 2-amino-5-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide?
The InChIKey is YNVITANFHRGRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O4S2/c1-12-18(14,15)5-4-13-19(16,17)9-6-7(10)2-3-8(9)11/h2-3,6,12-13H,4-5,11H2,1H3.
What are the key properties of 2-amino-5-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide?
2-amino-5-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide has a molecular weight of 372.27 g/mol, XLogP of -0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 106333410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).