4-[4-[[[4-(4-sulfamoylphenyl)phenyl]sulfonylamino]oxysulfamoyl]phenyl]benzenesulfonamide

C24H22N4O9S4 — CID 174843361

IUPAC4-[4-[[[4-(4-sulfamoylphenyl)phenyl]sulfonylamino]oxysulfamoyl]phenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)NONS(=O)(=O)c3ccc(-c4ccc(S(N)(=O)=O)cc4)cc3)cc2)cc1
InChIInChI=1S/C24H22N4O9S4/c25-38(29,30)21-9-1-17(2-10-21)19-5-13-23(14-6-19)40(33,34)27-37-28-41(35,36)24-15-7-20(8-16-24)18-3-11-22(12-4-18)39(26,31)32/h1-16,27-28H,(H2,25,29,30)(H2,26,31,32)
InChIKeyUQAFVBYGGRQENS-UHFFFAOYSA-N
MW638.73 g/mol
LogP1.42
Rot. Bonds10

About 4-[4-[[[4-(4-sulfamoylphenyl)phenyl]sulfonylamino]oxysulfamoyl]phenyl]benzenesulfonamide

4-[4-[[[4-(4-sulfamoylphenyl)phenyl]sulfonylamino]oxysulfamoyl]phenyl]benzenesulfonamide (PubChem CID 174843361) has the molecular formula C24H22N4O9S4 and a molecular weight of 638.73 g/mol. Its IUPAC name is 4-[4-[[[4-(4-sulfamoylphenyl)phenyl]sulfonylamino]oxysulfamoyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-[[[4-(4-sulfamoylphenyl)phenyl]sulfonylamino]oxysulfamoyl]phenyl]benzenesulfonamide
PubChem CID174843361
Molecular FormulaC24H22N4O9S4
Molecular Weight638.73 g/mol
Exact Mass638.03
IUPAC Name4-[4-[[[4-(4-sulfamoylphenyl)phenyl]sulfonylamino]oxysulfamoyl]phenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)NONS(=O)(=O)c3ccc(-c4ccc(S(N)(=O)=O)cc4)cc3)cc2)cc1
InChIInChI=1S/C24H22N4O9S4/c25-38(29,30)21-9-1-17(2-10-21)19-5-13-23(14-6-19)40(33,34)27-37-28-41(35,36)24-15-7-20(8-16-24)18-3-11-22(12-4-18)39(26,31)32/h1-16,27-28H,(H2,25,29,30)(H2,26,31,32)
InChIKeyUQAFVBYGGRQENS-UHFFFAOYSA-N
XLogP1.42
TPSA221.89 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500638.73
LogP ≤ 51.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 4-(4-sulfamoylphenyl)benzoate
CID 122194771
4-N-(4-phenylphenyl)benzene-1,4-disulfonamide
CID 8822463
4-N-fluorobenzene-1,4-disulfonamide
CID 175065506
bis(4-methylbenzenesulfonamide);selane
CID 173300479
methane;4-methylbenzenesulfonamide
CID 66673954
4-(2-aminophenyl)benzenesulfonamide
CID 18545753
N-[(2-methylpropan-2-yl)oxy]-4-phenylbenzenesulfonamide
CID 175441689
4-N-(2-ethylbutyl)benzene-1,4-disulfonamide
CID 115613409
4-phenyl-N-propan-2-yloxybenzenesulfonamide
CID 59272998
aminourea;4-methylbenzenesulfonamide
CID 174801132
4-N-(2-ethoxypropyl)benzene-1,4-disulfonamide
CID 115650655
4-(3-bromo-4-methoxyphenyl)benzenesulfonamide
CID 57313510

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[[4-(4-sulfamoylphenyl)phenyl]sulfonylamino]oxysulfamoyl]phenyl]benzenesulfonamide?
The IUPAC name of 4-[4-[[[4-(4-sulfamoylphenyl)phenyl]sulfonylamino]oxysulfamoyl]phenyl]benzenesulfonamide (CID 174843361) is 4-[4-[[[4-(4-sulfamoylphenyl)phenyl]sulfonylamino]oxysulfamoyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-[4-[[[4-(4-sulfamoylphenyl)phenyl]sulfonylamino]oxysulfamoyl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-[4-[[[4-(4-sulfamoylphenyl)phenyl]sulfonylamino]oxysulfamoyl]phenyl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)NONS(=O)(=O)c3ccc(-c4ccc(S(N)(=O)=O)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-[4-[[[4-(4-sulfamoylphenyl)phenyl]sulfonylamino]oxysulfamoyl]phenyl]benzenesulfonamide?
The InChIKey is UQAFVBYGGRQENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O9S4/c25-38(29,30)21-9-1-17(2-10-21)19-5-13-23(14-6-19)40(33,34)27-37-28-41(35,36)24-15-7-20(8-16-24)18-3-11-22(12-4-18)39(26,31)32/h1-16,27-28H,(H2,25,29,30)(H2,26,31,32).
What are the key properties of 4-[4-[[[4-(4-sulfamoylphenyl)phenyl]sulfonylamino]oxysulfamoyl]phenyl]benzenesulfonamide?
4-[4-[[[4-(4-sulfamoylphenyl)phenyl]sulfonylamino]oxysulfamoyl]phenyl]benzenesulfonamide has a molecular weight of 638.73 g/mol, XLogP of 1.42, 10 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[[4-(4-sulfamoylphenyl)phenyl]sulfonylamino]oxysulfamoyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 174843361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).