4-[(4-amino-2,5-dimethoxyphenyl)diazenyl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide

C18H24N4O6S — CID 88561091

IUPAC4-[(4-amino-2,5-dimethoxyphenyl)diazenyl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide
SMILESCOc1cc(/N=N/c2ccc(S(=O)(=O)N(CCO)CCO)cc2)c(OC)cc1N
InChIInChI=1S/C18H24N4O6S/c1-27-17-12-16(18(28-2)11-15(17)19)21-20-13-3-5-14(6-4-13)29(25,26)22(7-9-23)8-10-24/h3-6,11-12,23-24H,7-10,19H2,1-2H3/b21-20+
InChIKeyMLKRFAZWNKCVES-QZQOTICOSA-N
MW424.48 g/mol
LogP1.68
Rot. Bonds10

About 4-[(4-amino-2,5-dimethoxyphenyl)diazenyl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide

4-[(4-amino-2,5-dimethoxyphenyl)diazenyl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide (PubChem CID 88561091) has the molecular formula C18H24N4O6S and a molecular weight of 424.48 g/mol. Its IUPAC name is 4-[(4-amino-2,5-dimethoxyphenyl)diazenyl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(4-amino-2,5-dimethoxyphenyl)diazenyl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide
PubChem CID88561091
Molecular FormulaC18H24N4O6S
Molecular Weight424.48 g/mol
Exact Mass424.14
IUPAC Name4-[(4-amino-2,5-dimethoxyphenyl)diazenyl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide
SMILESCOc1cc(/N=N/c2ccc(S(=O)(=O)N(CCO)CCO)cc2)c(OC)cc1N
InChIInChI=1S/C18H24N4O6S/c1-27-17-12-16(18(28-2)11-15(17)19)21-20-13-3-5-14(6-4-13)29(25,26)22(7-9-23)8-10-24/h3-6,11-12,23-24H,7-10,19H2,1-2H3/b21-20+
InChIKeyMLKRFAZWNKCVES-QZQOTICOSA-N
XLogP1.68
TPSA147.04 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 4-[(4-amino-2,5-dimethoxyphenyl)diazenyl]-N,N-bis(2-hydroxyethyl)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

dodecasodium;5-amino-3-[[4-[[4-[bis(2-hydroxyethyl)sulfamoyl]phenyl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;5-amino-3-[[2,5-dimethoxy-4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;tetrakis(5-amino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate);hexakis(sulfur trioxide)
CID 161159741
5-amino-3-[[4-[2-[4-[bis(2-hydroxyethyl)sulfamoyl]phenyl]hydrazinyl]-2,5-dimethoxyphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid
CID 136968661
sodium 2,5-dimethoxy-4-[(4-oxidoperoxysulfanylphenyl)diazenyl]aniline
CID 59012909
4-[(4-aminophenyl)diazenyl]-3-methoxybenzenesulfonic acid
CID 88756347
4-[(E)-2-[4-[(E)-2-(4-aminophenyl)ethenyl]-3-methoxyphenyl]ethenyl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 53245822
decasodium;5-amino-3-[[4-[[4-[bis(2-hydroxyethyl)sulfamoyl]phenyl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;5-amino-3-[[2,5-dimethoxy-4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;5-amino-3-[[2,5-dimethoxy-4-[[4-(pentan-3-ylsulfamoyl)phenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;bis(5-amino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate);pentakis(sulfur trioxide)
CID 162120790
3-[(3-amino-4-methoxyphenyl)sulfonyl-(3-amino-3-oxopropyl)amino]propanamide
CID 163792004
8-[(4-amino-2,5-dimethoxyphenyl)diazenyl]-5-[(2-methyl-4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 137492596
4-methoxy-2-methyl-5-[(4-sulfophenyl)diazenyl]benzenesulfonic acid
CID 89359765
4-[(4-chlorophenyl)diazenyl]-5-ethyl-2-methoxyaniline
CID 23339963
3-bromo-N-butyl-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CID 61217996
2-[4-[[2,5-dimethoxy-4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]-N-(2-nitrosoethyl)anilino]ethanol
CID 90378459

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-2,5-dimethoxyphenyl)diazenyl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 4-[(4-amino-2,5-dimethoxyphenyl)diazenyl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide (CID 88561091) is 4-[(4-amino-2,5-dimethoxyphenyl)diazenyl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-[(4-amino-2,5-dimethoxyphenyl)diazenyl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 4-[(4-amino-2,5-dimethoxyphenyl)diazenyl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide is COc1cc(/N=N/c2ccc(S(=O)(=O)N(CCO)CCO)cc2)c(OC)cc1N.
What is the InChIKey of 4-[(4-amino-2,5-dimethoxyphenyl)diazenyl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is MLKRFAZWNKCVES-QZQOTICOSA-N. The full InChI is InChI=1S/C18H24N4O6S/c1-27-17-12-16(18(28-2)11-15(17)19)21-20-13-3-5-14(6-4-13)29(25,26)22(7-9-23)8-10-24/h3-6,11-12,23-24H,7-10,19H2,1-2H3/b21-20+.
What are the key properties of 4-[(4-amino-2,5-dimethoxyphenyl)diazenyl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide?
4-[(4-amino-2,5-dimethoxyphenyl)diazenyl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 424.48 g/mol, XLogP of 1.68, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-2,5-dimethoxyphenyl)diazenyl]-N,N-bis(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 88561091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).