[4-(phenylsulfamoyl)phenyl] 4-hydroxybenzenesulfonate

C18H15NO6S2 — CID 11384184

IUPAC[4-(phenylsulfamoyl)phenyl] 4-hydroxybenzenesulfonate
SMILESO=S(=O)(Nc1ccccc1)c1ccc(OS(=O)(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C18H15NO6S2/c20-15-6-10-18(11-7-15)27(23,24)25-16-8-12-17(13-9-16)26(21,22)19-14-4-2-1-3-5-14/h1-13,19-20H
InChIKeyJSONXGLFKHLMFJ-UHFFFAOYSA-N
MW405.45 g/mol
LogP2.96
Rot. Bonds6

About [4-(phenylsulfamoyl)phenyl] 4-hydroxybenzenesulfonate

[4-(phenylsulfamoyl)phenyl] 4-hydroxybenzenesulfonate (PubChem CID 11384184) has the molecular formula C18H15NO6S2 and a molecular weight of 405.45 g/mol. Its IUPAC name is [4-(phenylsulfamoyl)phenyl] 4-hydroxybenzenesulfonate.

Molecular Properties

Compound Name[4-(phenylsulfamoyl)phenyl] 4-hydroxybenzenesulfonate
PubChem CID11384184
Molecular FormulaC18H15NO6S2
Molecular Weight405.45 g/mol
Exact Mass405.03
IUPAC Name[4-(phenylsulfamoyl)phenyl] 4-hydroxybenzenesulfonate
SMILESO=S(=O)(Nc1ccccc1)c1ccc(OS(=O)(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C18H15NO6S2/c20-15-6-10-18(11-7-15)27(23,24)25-16-8-12-17(13-9-16)26(21,22)19-14-4-2-1-3-5-14/h1-13,19-20H
InChIKeyJSONXGLFKHLMFJ-UHFFFAOYSA-N
XLogP2.96
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-hydroxyphenyl)-4-[4-[(4-hydroxyphenyl)sulfamoyl]phenoxy]benzenesulfonamide
CID 129257793
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
[4-[(3-methylphenyl)sulfamoyl]phenyl] 4-methylbenzenesulfonate
CID 20705329
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
N-(4-anilinophenyl)-4-methoxybenzenesulfonamide
CID 1011074
[3-methyl-5-[(4-methylphenyl)sulfonylamino]phenyl] benzenesulfonate
CID 23206315
4-fluoro-N-(4-hydroxyphenyl)benzenesulfonamide
CID 764850
4-bromo-N-(4-hydroxyphenyl)benzenesulfonamide
CID 875203
4-butoxy-N-phenylbenzenesulfonamide
CID 3597057
4-(phenylsulfamoyl)benzoate
CID 6997297
(2R)-N-methyl-2-[4-(phenylsulfamoyl)phenoxy]propanamide
CID 92513136
N-(4-hydroxyphenyl)-4-pentoxybenzenesulfonamide
CID 18515517

Frequently Asked Questions

What is the IUPAC name of [4-(phenylsulfamoyl)phenyl] 4-hydroxybenzenesulfonate?
The IUPAC name of [4-(phenylsulfamoyl)phenyl] 4-hydroxybenzenesulfonate (CID 11384184) is [4-(phenylsulfamoyl)phenyl] 4-hydroxybenzenesulfonate.
What is the SMILES notation for [4-(phenylsulfamoyl)phenyl] 4-hydroxybenzenesulfonate?
The canonical SMILES for [4-(phenylsulfamoyl)phenyl] 4-hydroxybenzenesulfonate is O=S(=O)(Nc1ccccc1)c1ccc(OS(=O)(=O)c2ccc(O)cc2)cc1.
What is the InChIKey of [4-(phenylsulfamoyl)phenyl] 4-hydroxybenzenesulfonate?
The InChIKey is JSONXGLFKHLMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO6S2/c20-15-6-10-18(11-7-15)27(23,24)25-16-8-12-17(13-9-16)26(21,22)19-14-4-2-1-3-5-14/h1-13,19-20H.
What are the key properties of [4-(phenylsulfamoyl)phenyl] 4-hydroxybenzenesulfonate?
[4-(phenylsulfamoyl)phenyl] 4-hydroxybenzenesulfonate has a molecular weight of 405.45 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(phenylsulfamoyl)phenyl] 4-hydroxybenzenesulfonate is sourced from PubChem (CID 11384184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).