4-bromo-N-(methoxymethoxy)benzenesulfonamide

C8H10BrNO4S — CID 110504620

IUPAC4-bromo-N-(methoxymethoxy)benzenesulfonamide
SMILESCOCONS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C8H10BrNO4S/c1-13-6-14-10-15(11,12)8-4-2-7(9)3-5-8/h2-5,10H,6H2,1H3
InChIKeyHPVLYDUQKSUCAA-UHFFFAOYSA-N
MW296.14 g/mol
LogP1.26
Rot. Bonds5

About 4-bromo-N-(methoxymethoxy)benzenesulfonamide

4-bromo-N-(methoxymethoxy)benzenesulfonamide (PubChem CID 110504620) has the molecular formula C8H10BrNO4S and a molecular weight of 296.14 g/mol. Its IUPAC name is 4-bromo-N-(methoxymethoxy)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(methoxymethoxy)benzenesulfonamide
PubChem CID110504620
Molecular FormulaC8H10BrNO4S
Molecular Weight296.14 g/mol
Exact Mass294.95
IUPAC Name4-bromo-N-(methoxymethoxy)benzenesulfonamide
SMILESCOCONS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C8H10BrNO4S/c1-13-6-14-10-15(11,12)8-4-2-7(9)3-5-8/h2-5,10H,6H2,1H3
InChIKeyHPVLYDUQKSUCAA-UHFFFAOYSA-N
XLogP1.26
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.14
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-bromo-N-(methoxymethoxy)benzenesulfonamide 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

4-bromo-N-(2-methoxyethoxy)benzenesulfonamide
CID 82714595
N-(methoxymethoxy)pyridine-4-sulfonamide
CID 166652907
2-[(4-bromophenyl)sulfonylamino]oxyacetic acid
CID 60661242
4-bromo-N-phenylmethoxybenzenesulfonamide
CID 45378388
4-bromo-N-(3-methoxypropyl)benzenesulfonamide
CID 4619228
N-(2-methoxyethoxy)-4-methylsulfonylbenzenesulfonamide
CID 82715379
methyl 2-[(4-bromophenyl)sulfonylamino]acetate
CID 669307
4-bromo-N-(4-methoxy-2,2-dimethylbutyl)benzenesulfonamide
CID 113434225
methyl 2-bromo-3-[(4-bromophenyl)sulfonylamino]propanoate
CID 103493729
N-(methoxymethoxy)-2-nitrobenzenesulfonamide
CID 46848970
4-bromo-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102907719
4-bromo-N-(3-methylbutyl)benzenesulfonamide
CID 669771

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(methoxymethoxy)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(methoxymethoxy)benzenesulfonamide (CID 110504620) is 4-bromo-N-(methoxymethoxy)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(methoxymethoxy)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(methoxymethoxy)benzenesulfonamide is COCONS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(methoxymethoxy)benzenesulfonamide?
The InChIKey is HPVLYDUQKSUCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO4S/c1-13-6-14-10-15(11,12)8-4-2-7(9)3-5-8/h2-5,10H,6H2,1H3.
What are the key properties of 4-bromo-N-(methoxymethoxy)benzenesulfonamide?
4-bromo-N-(methoxymethoxy)benzenesulfonamide has a molecular weight of 296.14 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(methoxymethoxy)benzenesulfonamide is sourced from PubChem (CID 110504620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).