2-[(3-bromophenyl)methoxymethyl]-2-ethylbutane-1-sulfonamide

C14H22BrNO3S — CID 82826695

IUPAC2-[(3-bromophenyl)methoxymethyl]-2-ethylbutane-1-sulfonamide
SMILESCCC(CC)(COCc1cccc(Br)c1)CS(N)(=O)=O
InChIInChI=1S/C14H22BrNO3S/c1-3-14(4-2,11-20(16,17)18)10-19-9-12-6-5-7-13(15)8-12/h5-8H,3-4,9-11H2,1-2H3,(H2,16,17,18)
InChIKeyLGZMPLLZMXUYMR-UHFFFAOYSA-N
MW364.31 g/mol
LogP3.06
Rot. Bonds8

About 2-[(3-bromophenyl)methoxymethyl]-2-ethylbutane-1-sulfonamide

2-[(3-bromophenyl)methoxymethyl]-2-ethylbutane-1-sulfonamide (PubChem CID 82826695) has the molecular formula C14H22BrNO3S and a molecular weight of 364.31 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methoxymethyl]-2-ethylbutane-1-sulfonamide.

Molecular Properties

Compound Name2-[(3-bromophenyl)methoxymethyl]-2-ethylbutane-1-sulfonamide
PubChem CID82826695
Molecular FormulaC14H22BrNO3S
Molecular Weight364.31 g/mol
Exact Mass363.05
IUPAC Name2-[(3-bromophenyl)methoxymethyl]-2-ethylbutane-1-sulfonamide
SMILESCCC(CC)(COCc1cccc(Br)c1)CS(N)(=O)=O
InChIInChI=1S/C14H22BrNO3S/c1-3-14(4-2,11-20(16,17)18)10-19-9-12-6-5-7-13(15)8-12/h5-8H,3-4,9-11H2,1-2H3,(H2,16,17,18)
InChIKeyLGZMPLLZMXUYMR-UHFFFAOYSA-N
XLogP3.06
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.31
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-bromophenyl)methoxy]-2,2-dimethylpropane-1-sulfonamide
CID 82827332
2-ethyl-2-[(4-methoxyphenyl)methoxymethyl]butane-1-sulfonamide
CID 65003749
3-[(3-bromophenyl)methoxy]propane-1-sulfonamide
CID 82826920
2-ethyl-2-[(3-ethylphenoxy)methyl]butane-1-sulfonamide
CID 65004097
3-[(3-bromophenyl)methoxy]-2,2-dimethylpropan-1-amine
CID 82825243
1-[(3-bromophenyl)methoxy]-2,2,4,4-tetramethylpentan-3-one
CID 101476488
3-[(3-bromophenyl)methoxy]-2,2-dimethylpropane-1-thiol
CID 82827092
1-bromo-3-(propoxymethyl)benzene
CID 57057286
5-[(3-bromophenyl)methoxy]pentane-1-sulfonamide
CID 82826620
1-[(3-bromophenyl)methoxy]-3,3-dimethylbutan-2-one
CID 82827323
[3-[(3-bromophenyl)methoxymethyl]phenyl]methanamine
CID 82827520
3-[(3-bromophenyl)methyl]pentan-3-amine
CID 60799234

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methoxymethyl]-2-ethylbutane-1-sulfonamide?
The IUPAC name of 2-[(3-bromophenyl)methoxymethyl]-2-ethylbutane-1-sulfonamide (CID 82826695) is 2-[(3-bromophenyl)methoxymethyl]-2-ethylbutane-1-sulfonamide.
What is the SMILES notation for 2-[(3-bromophenyl)methoxymethyl]-2-ethylbutane-1-sulfonamide?
The canonical SMILES for 2-[(3-bromophenyl)methoxymethyl]-2-ethylbutane-1-sulfonamide is CCC(CC)(COCc1cccc(Br)c1)CS(N)(=O)=O.
What is the InChIKey of 2-[(3-bromophenyl)methoxymethyl]-2-ethylbutane-1-sulfonamide?
The InChIKey is LGZMPLLZMXUYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO3S/c1-3-14(4-2,11-20(16,17)18)10-19-9-12-6-5-7-13(15)8-12/h5-8H,3-4,9-11H2,1-2H3,(H2,16,17,18).
What are the key properties of 2-[(3-bromophenyl)methoxymethyl]-2-ethylbutane-1-sulfonamide?
2-[(3-bromophenyl)methoxymethyl]-2-ethylbutane-1-sulfonamide has a molecular weight of 364.31 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methoxymethyl]-2-ethylbutane-1-sulfonamide is sourced from PubChem (CID 82826695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).