4-amino-3-bromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide

C11H17BrN2O3S — CID 113449858

IUPAC4-amino-3-bromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
SMILESCOC(C)(C)CNS(=O)(=O)c1ccc(N)c(Br)c1
InChIInChI=1S/C11H17BrN2O3S/c1-11(2,17-3)7-14-18(15,16)8-4-5-10(13)9(12)6-8/h4-6,14H,7,13H2,1-3H3
InChIKeyDMTUJFYCMZCHEK-UHFFFAOYSA-N
MW337.24 g/mol
LogP1.73
Rot. Bonds5

About 4-amino-3-bromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide

4-amino-3-bromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide (PubChem CID 113449858) has the molecular formula C11H17BrN2O3S and a molecular weight of 337.24 g/mol. Its IUPAC name is 4-amino-3-bromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-bromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
PubChem CID113449858
Molecular FormulaC11H17BrN2O3S
Molecular Weight337.24 g/mol
Exact Mass336.01
IUPAC Name4-amino-3-bromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
SMILESCOC(C)(C)CNS(=O)(=O)c1ccc(N)c(Br)c1
InChIInChI=1S/C11H17BrN2O3S/c1-11(2,17-3)7-14-18(15,16)8-4-5-10(13)9(12)6-8/h4-6,14H,7,13H2,1-3H3
InChIKeyDMTUJFYCMZCHEK-UHFFFAOYSA-N
XLogP1.73
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-methoxy-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 104758508
3-bromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 115650781
4-amino-3-bromo-N-(2-ethyl-2-hydroxybutyl)benzenesulfonamide
CID 65102662
4-amino-2,6-dibromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 104758524
2-amino-4,6-dibromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 104758514
methyl 3-[(4-amino-3-bromophenyl)sulfonylamino]-2-hydroxypropanoate
CID 107213744
3-[(2-methoxy-2-methylpropyl)sulfamoyl]benzenesulfonyl chloride
CID 113450286
2-bromo-N-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide
CID 115650768
4-amino-N-(2-methoxy-2-methylpropyl)naphthalene-1-sulfonamide
CID 104762860
4-cyano-N-(2-methoxy-2-methylpropyl)-3-methylbenzenesulfonamide
CID 106833407
4-amino-3-bromo-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106333201
4-(3-aminopropyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 106079938

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-bromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide?
The IUPAC name of 4-amino-3-bromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide (CID 113449858) is 4-amino-3-bromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-bromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 4-amino-3-bromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide is COC(C)(C)CNS(=O)(=O)c1ccc(N)c(Br)c1.
What is the InChIKey of 4-amino-3-bromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide?
The InChIKey is DMTUJFYCMZCHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O3S/c1-11(2,17-3)7-14-18(15,16)8-4-5-10(13)9(12)6-8/h4-6,14H,7,13H2,1-3H3.
What are the key properties of 4-amino-3-bromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide?
4-amino-3-bromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide has a molecular weight of 337.24 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-bromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 113449858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).