N,N'-bis(3-hydroxyphenyl)octane-1,8-disulfonamide

C20H28N2O6S2 — CID 3585526

IUPACN,N'-bis(3-hydroxyphenyl)octane-1,8-disulfonamide
SMILESO=S(=O)(CCCCCCCCS(=O)(=O)Nc1cccc(O)c1)Nc1cccc(O)c1
InChIInChI=1S/C20H28N2O6S2/c23-19-11-7-9-17(15-19)21-29(25,26)13-5-3-1-2-4-6-14-30(27,28)22-18-10-8-12-20(24)16-18/h7-12,15-16,21-24H,1-6,13-14H2
InChIKeyIKONSQVGSHKWCQ-UHFFFAOYSA-N
MW456.59 g/mol
LogP3.62
Rot. Bonds13

About N,N'-bis(3-hydroxyphenyl)octane-1,8-disulfonamide

N,N'-bis(3-hydroxyphenyl)octane-1,8-disulfonamide (PubChem CID 3585526) has the molecular formula C20H28N2O6S2 and a molecular weight of 456.59 g/mol. Its IUPAC name is N,N'-bis(3-hydroxyphenyl)octane-1,8-disulfonamide.

Molecular Properties

Compound NameN,N'-bis(3-hydroxyphenyl)octane-1,8-disulfonamide
PubChem CID3585526
Molecular FormulaC20H28N2O6S2
Molecular Weight456.59 g/mol
Exact Mass456.14
IUPAC NameN,N'-bis(3-hydroxyphenyl)octane-1,8-disulfonamide
SMILESO=S(=O)(CCCCCCCCS(=O)(=O)Nc1cccc(O)c1)Nc1cccc(O)c1
InChIInChI=1S/C20H28N2O6S2/c23-19-11-7-9-17(15-19)21-29(25,26)13-5-3-1-2-4-6-14-30(27,28)22-18-10-8-12-20(24)16-18/h7-12,15-16,21-24H,1-6,13-14H2
InChIKeyIKONSQVGSHKWCQ-UHFFFAOYSA-N
XLogP3.62
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 53.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N,N'-bis(3-hydroxyphenyl)octane-1,8-disulfonamide 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

N-(3-hydroxyphenyl)sulfamoyl chloride
CID 84760564
3-(octylsulfonylamino)benzoic acid
CID 152726076
N-(2,5-dihydroxyphenyl)-3-(hexadecylsulfonylamino)benzamide
CID 19763169
N-(2,6-dihydroxyphenyl)hexadecane-1-sulfonamide
CID 22758999
N-(3-methoxyphenyl)nonane-1-sulfonamide
CID 43833954
N-[3-(4-aminobutylsulfonylamino)phenyl]acetamide
CID 61456491
4-chloro-N-(3-methylphenyl)butane-1-sulfonamide
CID 116815142
N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]octane-1-sulfonamide
CID 6075879
N-(3-acetylphenyl)-4-chlorobutane-1-sulfonamide
CID 116814959
4-amino-N-(3-ethylphenyl)butane-1-sulfonamide
CID 54952501
N-(3-hydroxyphenyl)pyrrole-1-sulfonamide
CID 118078438
N-(3-aminophenyl)butane-1-sulfonamide
CID 16778445

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(3-hydroxyphenyl)octane-1,8-disulfonamide?
The IUPAC name of N,N'-bis(3-hydroxyphenyl)octane-1,8-disulfonamide (CID 3585526) is N,N'-bis(3-hydroxyphenyl)octane-1,8-disulfonamide.
What is the SMILES notation for N,N'-bis(3-hydroxyphenyl)octane-1,8-disulfonamide?
The canonical SMILES for N,N'-bis(3-hydroxyphenyl)octane-1,8-disulfonamide is O=S(=O)(CCCCCCCCS(=O)(=O)Nc1cccc(O)c1)Nc1cccc(O)c1.
What is the InChIKey of N,N'-bis(3-hydroxyphenyl)octane-1,8-disulfonamide?
The InChIKey is IKONSQVGSHKWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O6S2/c23-19-11-7-9-17(15-19)21-29(25,26)13-5-3-1-2-4-6-14-30(27,28)22-18-10-8-12-20(24)16-18/h7-12,15-16,21-24H,1-6,13-14H2.
What are the key properties of N,N'-bis(3-hydroxyphenyl)octane-1,8-disulfonamide?
N,N'-bis(3-hydroxyphenyl)octane-1,8-disulfonamide has a molecular weight of 456.59 g/mol, XLogP of 3.62, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(3-hydroxyphenyl)octane-1,8-disulfonamide is sourced from PubChem (CID 3585526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).