3-bromo-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide

C14H15BrN2O5S2 — CID 4843656

IUPAC3-bromo-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1Br
InChIInChI=1S/C14H15BrN2O5S2/c1-22-14-7-6-12(8-13(14)15)24(20,21)17-9-10-2-4-11(5-3-10)23(16,18)19/h2-8,17H,9H2,1H3,(H2,16,18,19)
InChIKeyYGGMMQAXNARVDZ-UHFFFAOYSA-N
MW435.32 g/mol
LogP1.58
Rot. Bonds6

About 3-bromo-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide

3-bromo-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide (PubChem CID 4843656) has the molecular formula C14H15BrN2O5S2 and a molecular weight of 435.32 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide
PubChem CID4843656
Molecular FormulaC14H15BrN2O5S2
Molecular Weight435.32 g/mol
Exact Mass433.96
IUPAC Name3-bromo-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1Br
InChIInChI=1S/C14H15BrN2O5S2/c1-22-14-7-6-12(8-13(14)15)24(20,21)17-9-10-2-4-11(5-3-10)23(16,18)19/h2-8,17H,9H2,1H3,(H2,16,18,19)
InChIKeyYGGMMQAXNARVDZ-UHFFFAOYSA-N
XLogP1.58
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.32
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-bromo-4-methoxy-N-[(4-sulfamoylphenyl)methyl]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

2-bromo-4,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide
CID 55387268
2-methoxy-5-methyl-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide
CID 8777833
4-N-[(4-methoxyphenyl)methyl]benzene-1,4-disulfonamide
CID 26527057
3-bromo-N-[(2,5-dimethoxyphenyl)methyl]-4-methoxybenzenesulfonamide
CID 31827596
N-(2-aminopropyl)-3-bromo-4-methoxybenzenesulfonamide
CID 63733775
N-[(4-aminophenyl)methyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 43604563
3-bromo-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 2880554
3-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 37478597
3-chloro-N-[(4-chlorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 37476599
4-(3-bromo-4-methoxyphenyl)benzenesulfonamide
CID 57313510
3-bromo-4-methoxy-N-prop-2-enylbenzenesulfonamide
CID 2263565
3-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 53288902

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 3-bromo-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide (CID 4843656) is 3-bromo-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-bromo-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1Br.
What is the InChIKey of 3-bromo-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide?
The InChIKey is YGGMMQAXNARVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O5S2/c1-22-14-7-6-12(8-13(14)15)24(20,21)17-9-10-2-4-11(5-3-10)23(16,18)19/h2-8,17H,9H2,1H3,(H2,16,18,19).
What are the key properties of 3-bromo-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide?
3-bromo-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide has a molecular weight of 435.32 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 4843656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).