3-(3-bromophenoxy)-2,2-dimethylpropane-1-sulfonamide

C11H16BrNO3S — CID 64999626

IUPAC3-(3-bromophenoxy)-2,2-dimethylpropane-1-sulfonamide
SMILESCC(C)(COc1cccc(Br)c1)CS(N)(=O)=O
InChIInChI=1S/C11H16BrNO3S/c1-11(2,8-17(13,14)15)7-16-10-5-3-4-9(12)6-10/h3-6H,7-8H2,1-2H3,(H2,13,14,15)
InChIKeyDQDWWYYMRDZBNS-UHFFFAOYSA-N
MW322.22 g/mol
LogP2.14
Rot. Bonds5

About 3-(3-bromophenoxy)-2,2-dimethylpropane-1-sulfonamide

3-(3-bromophenoxy)-2,2-dimethylpropane-1-sulfonamide (PubChem CID 64999626) has the molecular formula C11H16BrNO3S and a molecular weight of 322.22 g/mol. Its IUPAC name is 3-(3-bromophenoxy)-2,2-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-(3-bromophenoxy)-2,2-dimethylpropane-1-sulfonamide
PubChem CID64999626
Molecular FormulaC11H16BrNO3S
Molecular Weight322.22 g/mol
Exact Mass321.00
IUPAC Name3-(3-bromophenoxy)-2,2-dimethylpropane-1-sulfonamide
SMILESCC(C)(COc1cccc(Br)c1)CS(N)(=O)=O
InChIInChI=1S/C11H16BrNO3S/c1-11(2,8-17(13,14)15)7-16-10-5-3-4-9(12)6-10/h3-6H,7-8H2,1-2H3,(H2,13,14,15)
InChIKeyDQDWWYYMRDZBNS-UHFFFAOYSA-N
XLogP2.14
TPSA69.39 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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-bromophenoxy)-2,2-dimethylpropane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethyl-3-(3-nitrophenoxy)propane-1-sulfonamide
CID 64999478
3-[(3-bromophenyl)methoxy]-2,2-dimethylpropane-1-sulfonamide
CID 82827332
1-(3-bromophenoxy)-2,3-dimethylbutan-2-ol
CID 114447732
3-(6-bromonaphthalen-2-yl)oxy-2,2-dimethylpropane-1-sulfonyl chloride
CID 64999806
9-(3-bromophenoxy)nonane-1-sulfonamide
CID 105343891
2,2-dimethyl-3-(3-propan-2-ylphenoxy)propane-1-sulfonyl chloride
CID 64999649
2-ethyl-2-[(3-ethylphenoxy)methyl]butane-1-sulfonamide
CID 65004097
2-[(3-methylphenoxy)methyl]-2-propylpentane-1-sulfonamide
CID 65005010
1-bromo-3-ethoxybenzene;ethane
CID 143900364
2-[(3-fluorophenoxy)methyl]-2-propylpentane-1-sulfonamide
CID 65005106
3-[2-(3-bromophenoxy)ethylsulfonyl]-2-methylaniline
CID 81191691
1-(3-bromophenoxy)-3,4-dimethylhexan-3-amine
CID 54971752

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenoxy)-2,2-dimethylpropane-1-sulfonamide?
The IUPAC name of 3-(3-bromophenoxy)-2,2-dimethylpropane-1-sulfonamide (CID 64999626) is 3-(3-bromophenoxy)-2,2-dimethylpropane-1-sulfonamide.
What is the SMILES notation for 3-(3-bromophenoxy)-2,2-dimethylpropane-1-sulfonamide?
The canonical SMILES for 3-(3-bromophenoxy)-2,2-dimethylpropane-1-sulfonamide is CC(C)(COc1cccc(Br)c1)CS(N)(=O)=O.
What is the InChIKey of 3-(3-bromophenoxy)-2,2-dimethylpropane-1-sulfonamide?
The InChIKey is DQDWWYYMRDZBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO3S/c1-11(2,8-17(13,14)15)7-16-10-5-3-4-9(12)6-10/h3-6H,7-8H2,1-2H3,(H2,13,14,15).
What are the key properties of 3-(3-bromophenoxy)-2,2-dimethylpropane-1-sulfonamide?
3-(3-bromophenoxy)-2,2-dimethylpropane-1-sulfonamide has a molecular weight of 322.22 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenoxy)-2,2-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 64999626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).