N-(4-hydroxyphenyl)-4-[4-[(4-hydroxyphenyl)sulfamoyl]phenoxy]benzenesulfonamide

C24H20N2O7S2 — CID 129257793

IUPACN-(4-hydroxyphenyl)-4-[4-[(4-hydroxyphenyl)sulfamoyl]phenoxy]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(O)cc1)c1ccc(Oc2ccc(S(=O)(=O)Nc3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C24H20N2O7S2/c27-19-5-1-17(2-6-19)25-34(29,30)23-13-9-21(10-14-23)33-22-11-15-24(16-12-22)35(31,32)26-18-3-7-20(28)8-4-18/h1-16,25-28H
InChIKeyLWGKRZPAYUDILL-UHFFFAOYSA-N
MW512.57 g/mol
LogP4.49
Rot. Bonds8

About N-(4-hydroxyphenyl)-4-[4-[(4-hydroxyphenyl)sulfamoyl]phenoxy]benzenesulfonamide

N-(4-hydroxyphenyl)-4-[4-[(4-hydroxyphenyl)sulfamoyl]phenoxy]benzenesulfonamide (PubChem CID 129257793) has the molecular formula C24H20N2O7S2 and a molecular weight of 512.57 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-4-[4-[(4-hydroxyphenyl)sulfamoyl]phenoxy]benzenesulfonamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-4-[4-[(4-hydroxyphenyl)sulfamoyl]phenoxy]benzenesulfonamide
PubChem CID129257793
Molecular FormulaC24H20N2O7S2
Molecular Weight512.57 g/mol
Exact Mass512.07
IUPAC NameN-(4-hydroxyphenyl)-4-[4-[(4-hydroxyphenyl)sulfamoyl]phenoxy]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(O)cc1)c1ccc(Oc2ccc(S(=O)(=O)Nc3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C24H20N2O7S2/c27-19-5-1-17(2-6-19)25-34(29,30)23-13-9-21(10-14-23)33-22-11-15-24(16-12-22)35(31,32)26-18-3-7-20(28)8-4-18/h1-16,25-28H
InChIKeyLWGKRZPAYUDILL-UHFFFAOYSA-N
XLogP4.49
TPSA142.03 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.57
LogP ≤ 54.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[4-(4-chlorophenoxy)phenyl]benzenesulfonamide
CID 5010043
4-fluoro-N-(4-hydroxyphenyl)benzenesulfonamide
CID 764850
4-bromo-N-(4-hydroxyphenyl)benzenesulfonamide
CID 875203
4-ethyl-N-[4-[4-[(4-ethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide
CID 25047818
[4-(phenylsulfamoyl)phenyl] 4-hydroxybenzenesulfonate
CID 11384184
N-(4-hydroxyphenyl)-4-pentoxybenzenesulfonamide
CID 18515517
4-(4-hydroxyphenoxy)phenol;4-(4-hydroxyphenyl)sulfonylphenol
CID 161283209
2-[4-[(4-hydroxyphenyl)sulfamoyl]phenyl]acetic acid
CID 43714781
N-[4-(3,4-dimethylphenoxy)phenyl]-4-methylbenzenesulfonamide
CID 1377807
N-[4-(4-chlorophenoxy)phenyl]-4-cyanobenzenesulfonamide
CID 3735130
2-N,7-N-bis(4-hydroxyphenyl)-9-oxo-10H-anthracene-2,7-disulfonamide
CID 140937933
N-[4-[(4-pyridin-3-yloxyphenyl)sulfamoyl]phenyl]acetamide
CID 1332367

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-4-[4-[(4-hydroxyphenyl)sulfamoyl]phenoxy]benzenesulfonamide?
The IUPAC name of N-(4-hydroxyphenyl)-4-[4-[(4-hydroxyphenyl)sulfamoyl]phenoxy]benzenesulfonamide (CID 129257793) is N-(4-hydroxyphenyl)-4-[4-[(4-hydroxyphenyl)sulfamoyl]phenoxy]benzenesulfonamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-4-[4-[(4-hydroxyphenyl)sulfamoyl]phenoxy]benzenesulfonamide?
The canonical SMILES for N-(4-hydroxyphenyl)-4-[4-[(4-hydroxyphenyl)sulfamoyl]phenoxy]benzenesulfonamide is O=S(=O)(Nc1ccc(O)cc1)c1ccc(Oc2ccc(S(=O)(=O)Nc3ccc(O)cc3)cc2)cc1.
What is the InChIKey of N-(4-hydroxyphenyl)-4-[4-[(4-hydroxyphenyl)sulfamoyl]phenoxy]benzenesulfonamide?
The InChIKey is LWGKRZPAYUDILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O7S2/c27-19-5-1-17(2-6-19)25-34(29,30)23-13-9-21(10-14-23)33-22-11-15-24(16-12-22)35(31,32)26-18-3-7-20(28)8-4-18/h1-16,25-28H.
What are the key properties of N-(4-hydroxyphenyl)-4-[4-[(4-hydroxyphenyl)sulfamoyl]phenoxy]benzenesulfonamide?
N-(4-hydroxyphenyl)-4-[4-[(4-hydroxyphenyl)sulfamoyl]phenoxy]benzenesulfonamide has a molecular weight of 512.57 g/mol, XLogP of 4.49, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-4-[4-[(4-hydroxyphenyl)sulfamoyl]phenoxy]benzenesulfonamide is sourced from PubChem (CID 129257793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).