5-(2-bromo-4-methoxyphenoxy)-3-methylpentane-1-sulfonamide

C13H20BrNO4S — CID 104708673

IUPAC5-(2-bromo-4-methoxyphenoxy)-3-methylpentane-1-sulfonamide
SMILESCOc1ccc(OCCC(C)CCS(N)(=O)=O)c(Br)c1
InChIInChI=1S/C13H20BrNO4S/c1-10(6-8-20(15,16)17)5-7-19-13-4-3-11(18-2)9-12(13)14/h3-4,9-10H,5-8H2,1-2H3,(H2,15,16,17)
InChIKeyMLUXALJWJKEBBM-UHFFFAOYSA-N
MW366.28 g/mol
LogP2.54
Rot. Bonds8

About 5-(2-bromo-4-methoxyphenoxy)-3-methylpentane-1-sulfonamide

5-(2-bromo-4-methoxyphenoxy)-3-methylpentane-1-sulfonamide (PubChem CID 104708673) has the molecular formula C13H20BrNO4S and a molecular weight of 366.28 g/mol. Its IUPAC name is 5-(2-bromo-4-methoxyphenoxy)-3-methylpentane-1-sulfonamide.

Molecular Properties

Compound Name5-(2-bromo-4-methoxyphenoxy)-3-methylpentane-1-sulfonamide
PubChem CID104708673
Molecular FormulaC13H20BrNO4S
Molecular Weight366.28 g/mol
Exact Mass365.03
IUPAC Name5-(2-bromo-4-methoxyphenoxy)-3-methylpentane-1-sulfonamide
SMILESCOc1ccc(OCCC(C)CCS(N)(=O)=O)c(Br)c1
InChIInChI=1S/C13H20BrNO4S/c1-10(6-8-20(15,16)17)5-7-19-13-4-3-11(18-2)9-12(13)14/h3-4,9-10H,5-8H2,1-2H3,(H2,15,16,17)
InChIKeyMLUXALJWJKEBBM-UHFFFAOYSA-N
XLogP2.54
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.28
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,5-dibromo-4-methoxyphenoxy)-3-methylpentane-1-sulfonamide
CID 79406228
2-(2-bromo-4-methoxyphenoxy)ethanesulfonamide
CID 104708667
5-(3-bromo-4-fluorophenoxy)-3-methylpentane-1-sulfonamide
CID 83234940
5-(2-bromo-6-methoxyphenoxy)-3-methylpentane-1-sulfonamide
CID 83135238
2-bromo-4-methoxy-1-(2-methylsulfonylethoxy)benzene
CID 104707500
2-bromo-4-methoxy-1-[2-(3-methylbutoxy)ethoxy]benzene
CID 104707260
2-[(2-bromo-4-methoxyphenoxy)methyl]-3,3-dimethylbutane-1-sulfonamide
CID 104708677
3-(2-bromo-4-methoxyphenoxy)-2-methylpropan-1-ol
CID 104705248
4-(2-bromo-4-methoxyphenoxy)butan-2-one
CID 104708081
[4-[2-(2-bromo-4-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 104706837
N-[3-(2-bromo-4-methoxyphenoxy)propyl]-2-methylpropan-1-amine
CID 104708357
3-(2-bromo-4-methoxyphenoxy)propanehydrazide
CID 104708593

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-4-methoxyphenoxy)-3-methylpentane-1-sulfonamide?
The IUPAC name of 5-(2-bromo-4-methoxyphenoxy)-3-methylpentane-1-sulfonamide (CID 104708673) is 5-(2-bromo-4-methoxyphenoxy)-3-methylpentane-1-sulfonamide.
What is the SMILES notation for 5-(2-bromo-4-methoxyphenoxy)-3-methylpentane-1-sulfonamide?
The canonical SMILES for 5-(2-bromo-4-methoxyphenoxy)-3-methylpentane-1-sulfonamide is COc1ccc(OCCC(C)CCS(N)(=O)=O)c(Br)c1.
What is the InChIKey of 5-(2-bromo-4-methoxyphenoxy)-3-methylpentane-1-sulfonamide?
The InChIKey is MLUXALJWJKEBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO4S/c1-10(6-8-20(15,16)17)5-7-19-13-4-3-11(18-2)9-12(13)14/h3-4,9-10H,5-8H2,1-2H3,(H2,15,16,17).
What are the key properties of 5-(2-bromo-4-methoxyphenoxy)-3-methylpentane-1-sulfonamide?
5-(2-bromo-4-methoxyphenoxy)-3-methylpentane-1-sulfonamide has a molecular weight of 366.28 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-4-methoxyphenoxy)-3-methylpentane-1-sulfonamide is sourced from PubChem (CID 104708673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).