2-amino-4-bromo-N-(2-methylbutyl)benzenesulfonamide

C11H17BrN2O2S — CID 62700584

IUPAC2-amino-4-bromo-N-(2-methylbutyl)benzenesulfonamide
SMILESCCC(C)CNS(=O)(=O)c1ccc(Br)cc1N
InChIInChI=1S/C11H17BrN2O2S/c1-3-8(2)7-14-17(15,16)11-5-4-9(12)6-10(11)13/h4-6,8,14H,3,7,13H2,1-2H3
InChIKeyQIVDLVKHJOPRJP-UHFFFAOYSA-N
MW321.24 g/mol
LogP2.36
Rot. Bonds5

About 2-amino-4-bromo-N-(2-methylbutyl)benzenesulfonamide

2-amino-4-bromo-N-(2-methylbutyl)benzenesulfonamide (PubChem CID 62700584) has the molecular formula C11H17BrN2O2S and a molecular weight of 321.24 g/mol. Its IUPAC name is 2-amino-4-bromo-N-(2-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-(2-methylbutyl)benzenesulfonamide
PubChem CID62700584
Molecular FormulaC11H17BrN2O2S
Molecular Weight321.24 g/mol
Exact Mass320.02
IUPAC Name2-amino-4-bromo-N-(2-methylbutyl)benzenesulfonamide
SMILESCCC(C)CNS(=O)(=O)c1ccc(Br)cc1N
InChIInChI=1S/C11H17BrN2O2S/c1-3-8(2)7-14-17(15,16)11-5-4-9(12)6-10(11)13/h4-6,8,14H,3,7,13H2,1-2H3
InChIKeyQIVDLVKHJOPRJP-UHFFFAOYSA-N
XLogP2.36
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.24
LogP ≤ 52.36
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-4-bromo-N-(2-hydroxypropyl)benzenesulfonamide
CID 43498694
2-amino-N-(2-methylbutyl)benzenesulfonamide
CID 62699266
2-amino-4,5-dimethyl-N-(2-methylbutyl)benzenesulfonamide
CID 62699271
5-amino-4-bromo-2-methyl-N-(2-methylbutyl)benzenesulfonamide
CID 114625611
2-amino-4-bromo-N-pentan-2-ylbenzenesulfonamide
CID 43258160
5-bromo-2-butan-2-ylsulfonylaniline
CID 81185112
2-amino-5-bromo-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide
CID 66089868
2-bromo-N-(2-methylbutyl)benzenesulfonamide
CID 3614286
3-amino-2,4-dichloro-N-(2-methylbutyl)benzenesulfonamide
CID 113469315
2-amino-4-bromo-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide
CID 64629578
4-amino-2,6-dibromo-N-(2-methylbutyl)benzenesulfonamide
CID 62700585
4-bromo-2-N-(2-methylbutyl)benzene-1,2-diamine
CID 65342354

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-(2-methylbutyl)benzenesulfonamide?
The IUPAC name of 2-amino-4-bromo-N-(2-methylbutyl)benzenesulfonamide (CID 62700584) is 2-amino-4-bromo-N-(2-methylbutyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-bromo-N-(2-methylbutyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-bromo-N-(2-methylbutyl)benzenesulfonamide is CCC(C)CNS(=O)(=O)c1ccc(Br)cc1N.
What is the InChIKey of 2-amino-4-bromo-N-(2-methylbutyl)benzenesulfonamide?
The InChIKey is QIVDLVKHJOPRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2S/c1-3-8(2)7-14-17(15,16)11-5-4-9(12)6-10(11)13/h4-6,8,14H,3,7,13H2,1-2H3.
What are the key properties of 2-amino-4-bromo-N-(2-methylbutyl)benzenesulfonamide?
2-amino-4-bromo-N-(2-methylbutyl)benzenesulfonamide has a molecular weight of 321.24 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-(2-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 62700584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).