4-amino-2-bromo-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide

C12H19BrN2O2S — CID 113457653

IUPAC4-amino-2-bromo-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(N)cc1Br)C(C)(C)C
InChIInChI=1S/C12H19BrN2O2S/c1-8(12(2,3)4)15-18(16,17)11-6-5-9(14)7-10(11)13/h5-8,15H,14H2,1-4H3
InChIKeyMIAGYSUYOFZCKV-UHFFFAOYSA-N
MW335.27 g/mol
LogP2.74
Rot. Bonds3

About 4-amino-2-bromo-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide

4-amino-2-bromo-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide (PubChem CID 113457653) has the molecular formula C12H19BrN2O2S and a molecular weight of 335.27 g/mol. Its IUPAC name is 4-amino-2-bromo-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-bromo-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide
PubChem CID113457653
Molecular FormulaC12H19BrN2O2S
Molecular Weight335.27 g/mol
Exact Mass334.04
IUPAC Name4-amino-2-bromo-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(N)cc1Br)C(C)(C)C
InChIInChI=1S/C12H19BrN2O2S/c1-8(12(2,3)4)15-18(16,17)11-6-5-9(14)7-10(11)13/h5-8,15H,14H2,1-4H3
InChIKeyMIAGYSUYOFZCKV-UHFFFAOYSA-N
XLogP2.74
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.27
LogP ≤ 52.74
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-bromo-N-(3,3-dimethylbutan-2-yl)-4-methylbenzenesulfonamide
CID 115622947
4-amino-2-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 79248195
4-amino-2-bromo-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide
CID 106347954
2-bromo-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide
CID 25043542
4-amino-2-bromo-N-(4-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 113484662
4-amino-2-bromo-N-[1-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 61105575
4-amino-2-bromo-N-[1-(3-bromophenyl)ethyl]benzenesulfonamide
CID 61125800
4-amino-2-bromo-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 43534326
6-amino-N-(3,3-dimethylbutan-2-yl)naphthalene-1-sulfonamide
CID 104828899
methyl 4-amino-2-(3,3-dimethylbutan-2-ylsulfamoyl)benzoate
CID 102931597
4-bromo-N-(3,3-dimethylbutan-2-yl)-2-fluorobenzenesulfonamide
CID 116528836
4-amino-2-bromo-N-(3-ethylpentan-3-yl)benzenesulfonamide
CID 65039299

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-bromo-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 4-amino-2-bromo-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide (CID 113457653) is 4-amino-2-bromo-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-bromo-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-bromo-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide is CC(NS(=O)(=O)c1ccc(N)cc1Br)C(C)(C)C.
What is the InChIKey of 4-amino-2-bromo-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide?
The InChIKey is MIAGYSUYOFZCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O2S/c1-8(12(2,3)4)15-18(16,17)11-6-5-9(14)7-10(11)13/h5-8,15H,14H2,1-4H3.
What are the key properties of 4-amino-2-bromo-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide?
4-amino-2-bromo-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide has a molecular weight of 335.27 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-bromo-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 113457653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).