2-bromo-4,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide

C15H17BrN2O6S2 — CID 55387268

IUPAC2-bromo-4,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide
SMILESCOc1cc(Br)c(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1OC
InChIInChI=1S/C15H17BrN2O6S2/c1-23-13-7-12(16)15(8-14(13)24-2)26(21,22)18-9-10-3-5-11(6-4-10)25(17,19)20/h3-8,18H,9H2,1-2H3,(H2,17,19,20)
InChIKeyNOMSIUYOJUJGDV-UHFFFAOYSA-N
MW465.35 g/mol
LogP1.59
Rot. Bonds7

About 2-bromo-4,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide

2-bromo-4,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide (PubChem CID 55387268) has the molecular formula C15H17BrN2O6S2 and a molecular weight of 465.35 g/mol. Its IUPAC name is 2-bromo-4,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide
PubChem CID55387268
Molecular FormulaC15H17BrN2O6S2
Molecular Weight465.35 g/mol
Exact Mass463.97
IUPAC Name2-bromo-4,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide
SMILESCOc1cc(Br)c(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1OC
InChIInChI=1S/C15H17BrN2O6S2/c1-23-13-7-12(16)15(8-14(13)24-2)26(21,22)18-9-10-3-5-11(6-4-10)25(17,19)20/h3-8,18H,9H2,1-2H3,(H2,17,19,20)
InChIKeyNOMSIUYOJUJGDV-UHFFFAOYSA-N
XLogP1.59
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.35
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-bromo-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide
CID 4843656
2-methoxy-5-methyl-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide
CID 8777833
4-N-[(4-methoxyphenyl)methyl]benzene-1,4-disulfonamide
CID 26527057
5-amino-2-bromo-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 65202378
2-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-4,5-dimethoxybenzenesulfonamide
CID 60599468
N-[(3,4-dimethoxyphenyl)methyl]-4-methylsulfonylbenzenesulfonamide
CID 46556031
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3,4-dimethoxybenzenesulfonamide
CID 9191426
(2S)-3-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 104935846
N-(3-aminocyclobutyl)-2-bromo-4,5-dimethoxybenzenesulfonamide
CID 43597871
4-amino-2-bromo-N-[(4-ethylphenyl)methyl]benzenesulfonamide
CID 106899208
1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-[(4-sulfamoylphenyl)methyl]guanidine;hydroiodide
CID 111200889
4-bromo-3-ethoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 91758592

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 2-bromo-4,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide (CID 55387268) is 2-bromo-4,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-4,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-4,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide is COc1cc(Br)c(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1OC.
What is the InChIKey of 2-bromo-4,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide?
The InChIKey is NOMSIUYOJUJGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O6S2/c1-23-13-7-12(16)15(8-14(13)24-2)26(21,22)18-9-10-3-5-11(6-4-10)25(17,19)20/h3-8,18H,9H2,1-2H3,(H2,17,19,20).
What are the key properties of 2-bromo-4,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide?
2-bromo-4,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide has a molecular weight of 465.35 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 55387268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).