3-[(3-bromophenyl)methoxy]-2,2-dimethylpropane-1-sulfonamide

C12H18BrNO3S — CID 82827332

IUPAC3-[(3-bromophenyl)methoxy]-2,2-dimethylpropane-1-sulfonamide
SMILESCC(C)(COCc1cccc(Br)c1)CS(N)(=O)=O
InChIInChI=1S/C12H18BrNO3S/c1-12(2,9-18(14,15)16)8-17-7-10-4-3-5-11(13)6-10/h3-6H,7-9H2,1-2H3,(H2,14,15,16)
InChIKeyNMQZLZANIKDJEZ-UHFFFAOYSA-N
MW336.25 g/mol
LogP2.28
Rot. Bonds6

About 3-[(3-bromophenyl)methoxy]-2,2-dimethylpropane-1-sulfonamide

3-[(3-bromophenyl)methoxy]-2,2-dimethylpropane-1-sulfonamide (PubChem CID 82827332) has the molecular formula C12H18BrNO3S and a molecular weight of 336.25 g/mol. Its IUPAC name is 3-[(3-bromophenyl)methoxy]-2,2-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-[(3-bromophenyl)methoxy]-2,2-dimethylpropane-1-sulfonamide
PubChem CID82827332
Molecular FormulaC12H18BrNO3S
Molecular Weight336.25 g/mol
Exact Mass335.02
IUPAC Name3-[(3-bromophenyl)methoxy]-2,2-dimethylpropane-1-sulfonamide
SMILESCC(C)(COCc1cccc(Br)c1)CS(N)(=O)=O
InChIInChI=1S/C12H18BrNO3S/c1-12(2,9-18(14,15)16)8-17-7-10-4-3-5-11(13)6-10/h3-6H,7-9H2,1-2H3,(H2,14,15,16)
InChIKeyNMQZLZANIKDJEZ-UHFFFAOYSA-N
XLogP2.28
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-bromophenyl)methoxymethyl]-2-ethylbutane-1-sulfonamide
CID 82826695
3-[(3-bromophenyl)methoxy]-2,2-dimethylpropan-1-amine
CID 82825243
3-[(3-bromophenyl)methoxy]-2,2-dimethylpropane-1-thiol
CID 82827092
1-[(3-bromophenyl)methoxy]-2,2,4,4-tetramethylpentan-3-one
CID 101476488
3-(3-bromophenoxy)-2,2-dimethylpropane-1-sulfonamide
CID 64999626
3-[(3-bromophenyl)methoxy]propane-1-sulfonamide
CID 82826920
3-[(4-methoxyphenyl)methoxy]-2,2-dimethylpropane-1-sulfonamide
CID 64999486
1-[(3-bromophenyl)methoxy]-3,3-dimethylbutan-2-one
CID 82827323
5-[(3-bromophenyl)methoxy]pentane-1-sulfonamide
CID 82826620
1-bromo-3-(propoxymethyl)benzene
CID 57057286
[3-[(3-bromophenyl)methoxymethyl]phenyl]methanamine
CID 82827520
(3-bromophenyl)methyl 3-amino-3-methylbutanoate
CID 82824054

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)methoxy]-2,2-dimethylpropane-1-sulfonamide?
The IUPAC name of 3-[(3-bromophenyl)methoxy]-2,2-dimethylpropane-1-sulfonamide (CID 82827332) is 3-[(3-bromophenyl)methoxy]-2,2-dimethylpropane-1-sulfonamide.
What is the SMILES notation for 3-[(3-bromophenyl)methoxy]-2,2-dimethylpropane-1-sulfonamide?
The canonical SMILES for 3-[(3-bromophenyl)methoxy]-2,2-dimethylpropane-1-sulfonamide is CC(C)(COCc1cccc(Br)c1)CS(N)(=O)=O.
What is the InChIKey of 3-[(3-bromophenyl)methoxy]-2,2-dimethylpropane-1-sulfonamide?
The InChIKey is NMQZLZANIKDJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO3S/c1-12(2,9-18(14,15)16)8-17-7-10-4-3-5-11(13)6-10/h3-6H,7-9H2,1-2H3,(H2,14,15,16).
What are the key properties of 3-[(3-bromophenyl)methoxy]-2,2-dimethylpropane-1-sulfonamide?
3-[(3-bromophenyl)methoxy]-2,2-dimethylpropane-1-sulfonamide has a molecular weight of 336.25 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)methoxy]-2,2-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 82827332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).