3-bromo-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide

C10H14BrNO4S — CID 2880554

IUPAC3-bromo-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C10H14BrNO4S/c1-15-6-5-12-17(13,14)8-3-4-10(16-2)9(11)7-8/h3-4,7,12H,5-6H2,1-2H3
InChIKeyZHSZKMFGLIOVFI-UHFFFAOYSA-N
MW324.20 g/mol
LogP1.38
Rot. Bonds6

About 3-bromo-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide

3-bromo-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide (PubChem CID 2880554) has the molecular formula C10H14BrNO4S and a molecular weight of 324.20 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide
PubChem CID2880554
Molecular FormulaC10H14BrNO4S
Molecular Weight324.20 g/mol
Exact Mass322.98
IUPAC Name3-bromo-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C10H14BrNO4S/c1-15-6-5-12-17(13,14)8-3-4-10(16-2)9(11)7-8/h3-4,7,12H,5-6H2,1-2H3
InChIKeyZHSZKMFGLIOVFI-UHFFFAOYSA-N
XLogP1.38
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
CID 115698727
N-[2-[(3-bromo-4-methoxyphenyl)sulfonylamino]ethyl]acetamide
CID 31391788
3-bromo-N-(6-hydroxyhexyl)-4-methoxybenzenesulfonamide
CID 103918422
3-bromo-4-methoxy-N-(2-phenylethyl)benzenesulfonamide
CID 1120509
3-bromo-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-methoxybenzenesulfonamide
CID 103834939
3-bromo-4-methoxy-N-prop-2-enylbenzenesulfonamide
CID 2263565
3-bromo-4-methoxy-N-[(1-methylcyclopropyl)methyl]benzenesulfonamide
CID 103723853
N-(2-aminopropyl)-3-bromo-4-methoxybenzenesulfonamide
CID 63733775
3-fluoro-4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83039010
3-bromo-4-methoxy-N-[(2R)-2-phenylpropyl]benzenesulfonamide
CID 32945181
2-(3-bromo-4-methoxyphenyl)sulfonyl-N-methylethanamine
CID 116853368
3-bromo-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide
CID 4843656

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide?
The IUPAC name of 3-bromo-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide (CID 2880554) is 3-bromo-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide is COCCNS(=O)(=O)c1ccc(OC)c(Br)c1.
What is the InChIKey of 3-bromo-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide?
The InChIKey is ZHSZKMFGLIOVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO4S/c1-15-6-5-12-17(13,14)8-3-4-10(16-2)9(11)7-8/h3-4,7,12H,5-6H2,1-2H3.
What are the key properties of 3-bromo-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide?
3-bromo-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide has a molecular weight of 324.20 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide is sourced from PubChem (CID 2880554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).