5-(2-bromo-6-methoxyphenoxy)-3-methylpentane-1-sulfonamide

C13H20BrNO4S — CID 83135238

IUPAC5-(2-bromo-6-methoxyphenoxy)-3-methylpentane-1-sulfonamide
SMILESCOc1cccc(Br)c1OCCC(C)CCS(N)(=O)=O
InChIInChI=1S/C13H20BrNO4S/c1-10(7-9-20(15,16)17)6-8-19-13-11(14)4-3-5-12(13)18-2/h3-5,10H,6-9H2,1-2H3,(H2,15,16,17)
InChIKeyRDUYKSGRLJWHDN-UHFFFAOYSA-N
MW366.28 g/mol
LogP2.54
Rot. Bonds8

About 5-(2-bromo-6-methoxyphenoxy)-3-methylpentane-1-sulfonamide

5-(2-bromo-6-methoxyphenoxy)-3-methylpentane-1-sulfonamide (PubChem CID 83135238) has the molecular formula C13H20BrNO4S and a molecular weight of 366.28 g/mol. Its IUPAC name is 5-(2-bromo-6-methoxyphenoxy)-3-methylpentane-1-sulfonamide.

Molecular Properties

Compound Name5-(2-bromo-6-methoxyphenoxy)-3-methylpentane-1-sulfonamide
PubChem CID83135238
Molecular FormulaC13H20BrNO4S
Molecular Weight366.28 g/mol
Exact Mass365.03
IUPAC Name5-(2-bromo-6-methoxyphenoxy)-3-methylpentane-1-sulfonamide
SMILESCOc1cccc(Br)c1OCCC(C)CCS(N)(=O)=O
InChIInChI=1S/C13H20BrNO4S/c1-10(7-9-20(15,16)17)6-8-19-13-11(14)4-3-5-12(13)18-2/h3-5,10H,6-9H2,1-2H3,(H2,15,16,17)
InChIKeyRDUYKSGRLJWHDN-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
5-(2-bromo-4-methoxyphenoxy)-3-methylpentane-1-sulfonamide
CID 104708673
5-[(2-bromophenyl)methoxy]-3-methylpentane-1-sulfonamide
CID 82827088
1-bromo-2-[2-(4-bromophenoxy)ethoxy]-3-methoxybenzene
CID 83140157
1-bromo-2-but-3-ynoxy-3-methoxybenzene
CID 82686319
5-(2-bromo-6-methoxyphenoxy)pentane-1-thiol
CID 83134542
6-(2-bromo-6-methoxyphenoxy)hexan-2-one
CID 83140482
4-(2-bromo-6-methoxyphenoxy)butanehydrazide
CID 83135162
6-(2-bromo-6-methoxyphenoxy)hexan-3-one
CID 106802157
3-(2-bromo-6-methoxyphenoxy)-N-ethylpropan-1-amine
CID 83140817
6-(2-bromo-6-methoxyphenoxy)hexanehydrazide
CID 83134301
1-[3-methoxy-2-(3-methylbutoxy)phenyl]propan-2-amine
CID 60907892

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-6-methoxyphenoxy)-3-methylpentane-1-sulfonamide?
The IUPAC name of 5-(2-bromo-6-methoxyphenoxy)-3-methylpentane-1-sulfonamide (CID 83135238) is 5-(2-bromo-6-methoxyphenoxy)-3-methylpentane-1-sulfonamide.
What is the SMILES notation for 5-(2-bromo-6-methoxyphenoxy)-3-methylpentane-1-sulfonamide?
The canonical SMILES for 5-(2-bromo-6-methoxyphenoxy)-3-methylpentane-1-sulfonamide is COc1cccc(Br)c1OCCC(C)CCS(N)(=O)=O.
What is the InChIKey of 5-(2-bromo-6-methoxyphenoxy)-3-methylpentane-1-sulfonamide?
The InChIKey is RDUYKSGRLJWHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO4S/c1-10(7-9-20(15,16)17)6-8-19-13-11(14)4-3-5-12(13)18-2/h3-5,10H,6-9H2,1-2H3,(H2,15,16,17).
What are the key properties of 5-(2-bromo-6-methoxyphenoxy)-3-methylpentane-1-sulfonamide?
5-(2-bromo-6-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-6-methoxyphenoxy)-3-methylpentane-1-sulfonamide is sourced from PubChem (CID 83135238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).