4-(2,5-dibromo-4-methoxyphenoxy)butane-1-sulfonamide

C11H15Br2NO4S — CID 79403949

IUPAC4-(2,5-dibromo-4-methoxyphenoxy)butane-1-sulfonamide
SMILESCOc1cc(Br)c(OCCCCS(N)(=O)=O)cc1Br
InChIInChI=1S/C11H15Br2NO4S/c1-17-10-6-9(13)11(7-8(10)12)18-4-2-3-5-19(14,15)16/h6-7H,2-5H2,1H3,(H2,14,15,16)
InChIKeyZKEUVSPJYYWQSA-UHFFFAOYSA-N
MW417.12 g/mol
LogP2.67
Rot. Bonds7

About 4-(2,5-dibromo-4-methoxyphenoxy)butane-1-sulfonamide

4-(2,5-dibromo-4-methoxyphenoxy)butane-1-sulfonamide (PubChem CID 79403949) has the molecular formula C11H15Br2NO4S and a molecular weight of 417.12 g/mol. Its IUPAC name is 4-(2,5-dibromo-4-methoxyphenoxy)butane-1-sulfonamide.

Molecular Properties

Compound Name4-(2,5-dibromo-4-methoxyphenoxy)butane-1-sulfonamide
PubChem CID79403949
Molecular FormulaC11H15Br2NO4S
Molecular Weight417.12 g/mol
Exact Mass414.91
IUPAC Name4-(2,5-dibromo-4-methoxyphenoxy)butane-1-sulfonamide
SMILESCOc1cc(Br)c(OCCCCS(N)(=O)=O)cc1Br
InChIInChI=1S/C11H15Br2NO4S/c1-17-10-6-9(13)11(7-8(10)12)18-4-2-3-5-19(14,15)16/h6-7H,2-5H2,1H3,(H2,14,15,16)
InChIKeyZKEUVSPJYYWQSA-UHFFFAOYSA-N
XLogP2.67
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.12
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(2,5-dibromo-4-methoxyphenoxy)butane-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

5-(2,5-dibromo-4-methoxyphenoxy)-3-methylpentane-1-sulfonamide
CID 79406228
disodium;4-[2,5-dibromo-4-(4-sulfonatobutoxy)phenoxy]butane-1-sulfonate
CID 102054536
2-(2-bromo-4-methoxyphenoxy)ethanesulfonamide
CID 104708667
1,4-dibromo-2-(2-chloroethoxy)-5-methoxybenzene
CID 11233233
4-(2-bromo-5-nitrophenoxy)butane-1-sulfonamide
CID 103013076
5-(2,5-dibromo-4-methoxyphenoxy)-N'-hydroxypentanimidamide
CID 79404299
5-(2,5-dibromo-4-methoxyphenoxy)-N-propylpentan-1-amine
CID 79403637
1,4-dibromo-2-(chloromethoxy)-5-methoxybenzene
CID 79529092
4-bromo-5-methoxy-2-methylbenzenesulfonamide
CID 154254262
2-(2,5-dibromo-4-methoxyphenoxy)acetaldehyde
CID 79404227
4-(4,5-diamino-2-methoxyphenoxy)butane-1-sulfonic acid
CID 20545463
5-(2-bromo-4-methoxyphenoxy)-3-methylpentane-1-sulfonamide
CID 104708673

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dibromo-4-methoxyphenoxy)butane-1-sulfonamide?
The IUPAC name of 4-(2,5-dibromo-4-methoxyphenoxy)butane-1-sulfonamide (CID 79403949) is 4-(2,5-dibromo-4-methoxyphenoxy)butane-1-sulfonamide.
What is the SMILES notation for 4-(2,5-dibromo-4-methoxyphenoxy)butane-1-sulfonamide?
The canonical SMILES for 4-(2,5-dibromo-4-methoxyphenoxy)butane-1-sulfonamide is COc1cc(Br)c(OCCCCS(N)(=O)=O)cc1Br.
What is the InChIKey of 4-(2,5-dibromo-4-methoxyphenoxy)butane-1-sulfonamide?
The InChIKey is ZKEUVSPJYYWQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2NO4S/c1-17-10-6-9(13)11(7-8(10)12)18-4-2-3-5-19(14,15)16/h6-7H,2-5H2,1H3,(H2,14,15,16).
What are the key properties of 4-(2,5-dibromo-4-methoxyphenoxy)butane-1-sulfonamide?
4-(2,5-dibromo-4-methoxyphenoxy)butane-1-sulfonamide has a molecular weight of 417.12 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dibromo-4-methoxyphenoxy)butane-1-sulfonamide is sourced from PubChem (CID 79403949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).