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

C11H16BrNO3S — CID 115650781

IUPAC3-bromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
SMILESCOC(C)(C)CNS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C11H16BrNO3S/c1-11(2,16-3)8-13-17(14,15)10-6-4-5-9(12)7-10/h4-7,13H,8H2,1-3H3
InChIKeyOCWMEIRUHLPLOG-UHFFFAOYSA-N
MW322.22 g/mol
LogP2.15
Rot. Bonds5

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

3-bromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide (PubChem CID 115650781) has the molecular formula C11H16BrNO3S and a molecular weight of 322.22 g/mol. Its IUPAC name is 3-bromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
PubChem CID115650781
Molecular FormulaC11H16BrNO3S
Molecular Weight322.22 g/mol
Exact Mass321.00
IUPAC Name3-bromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
SMILESCOC(C)(C)CNS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C11H16BrNO3S/c1-11(2,16-3)8-13-17(14,15)10-6-4-5-9(12)7-10/h4-7,13H,8H2,1-3H3
InChIKeyOCWMEIRUHLPLOG-UHFFFAOYSA-N
XLogP2.15
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methoxy-2-methylpropyl)sulfamoyl]benzenesulfonyl chloride
CID 113450286
3-cyano-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 115650765
4-amino-3-bromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 113449858
N-(2-amino-2-ethylbutyl)-3-bromobenzenesulfonamide;hydrochloride
CID 119990005
3-(1-hydroxypropyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 104764772
3-bromo-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide
CID 66180763
4-bromo-2,6-dichloro-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 115650766
3-amino-4-methoxy-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 104758508
2-bromo-N-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide
CID 115650768
3-bromo-N-(2-hydroxy-4,4-dimethylpentyl)benzenesulfonamide
CID 103835454
4-cyano-N-(2-methoxy-2-methylpropyl)-3-methylbenzenesulfonamide
CID 106833407
N-(2-aminoethyl)-3-bromobenzenesulfonamide;hydrochloride
CID 119960213

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide?
The IUPAC name of 3-bromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide (CID 115650781) is 3-bromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide is COC(C)(C)CNS(=O)(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide?
The InChIKey is OCWMEIRUHLPLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO3S/c1-11(2,16-3)8-13-17(14,15)10-6-4-5-9(12)7-10/h4-7,13H,8H2,1-3H3.
What are the key properties of 3-bromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide?
3-bromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide has a molecular weight of 322.22 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 115650781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).