2-amino-5-bromo-N-(2-methylbutan-2-yl)benzenesulfonamide

C11H17BrN2O2S — CID 54888928

IUPAC2-amino-5-bromo-N-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1cc(Br)ccc1N
InChIInChI=1S/C11H17BrN2O2S/c1-4-11(2,3)14-17(15,16)10-7-8(12)5-6-9(10)13/h5-7,14H,4,13H2,1-3H3
InChIKeyNYRGOJJYSLEANX-UHFFFAOYSA-N
MW321.24 g/mol
LogP2.50
Rot. Bonds4

About 2-amino-5-bromo-N-(2-methylbutan-2-yl)benzenesulfonamide

2-amino-5-bromo-N-(2-methylbutan-2-yl)benzenesulfonamide (PubChem CID 54888928) has the molecular formula C11H17BrN2O2S and a molecular weight of 321.24 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(2-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(2-methylbutan-2-yl)benzenesulfonamide
PubChem CID54888928
Molecular FormulaC11H17BrN2O2S
Molecular Weight321.24 g/mol
Exact Mass320.02
IUPAC Name2-amino-5-bromo-N-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1cc(Br)ccc1N
InChIInChI=1S/C11H17BrN2O2S/c1-4-11(2,3)14-17(15,16)10-7-8(12)5-6-9(10)13/h5-7,14H,4,13H2,1-3H3
InChIKeyNYRGOJJYSLEANX-UHFFFAOYSA-N
XLogP2.50
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.24
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-bromo-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide
CID 63401977
N-(1-amino-2-methylpropan-2-yl)-5-bromo-2-methylbenzenesulfonamide;hydrochloride
CID 119975386
2-amino-5-bromo-N',N'-dimethylbenzenesulfonohydrazide
CID 83012506
2-amino-5-bromo-N-(2,4,6-tribromophenyl)benzenesulfonamide
CID 63401790
4-amino-2,6-dibromo-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 43256860
2-amino-4-bromo-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzenesulfonamide
CID 107864437
2-amino-5-bromo-N-[2-(ethylsulfamoyl)ethyl]benzenesulfonamide
CID 106333542
(2-amino-5-bromophenyl)sulfonylurea
CID 116646105
1-(2-amino-5-bromophenyl)sulfonyl-3-tert-butylurea
CID 116646538
2-amino-5-bromo-N-[(4-ethylcyclohexyl)methyl]benzenesulfonamide
CID 63402228
2-amino-5-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 106333410
2-amino-5-bromo-N-(2-ethylsulfanylphenyl)benzenesulfonamide
CID 61127258

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(2-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 2-amino-5-bromo-N-(2-methylbutan-2-yl)benzenesulfonamide (CID 54888928) is 2-amino-5-bromo-N-(2-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-(2-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-(2-methylbutan-2-yl)benzenesulfonamide is CCC(C)(C)NS(=O)(=O)c1cc(Br)ccc1N.
What is the InChIKey of 2-amino-5-bromo-N-(2-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is NYRGOJJYSLEANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2S/c1-4-11(2,3)14-17(15,16)10-7-8(12)5-6-9(10)13/h5-7,14H,4,13H2,1-3H3.
What are the key properties of 2-amino-5-bromo-N-(2-methylbutan-2-yl)benzenesulfonamide?
2-amino-5-bromo-N-(2-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 321.24 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(2-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 54888928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).