5-[[4-(benzenesulfonamido)phenyl]sulfamoyl]-2-hydroxybenzamide

C19H17N3O6S2 — CID 130406207

IUPAC5-[[4-(benzenesulfonamido)phenyl]sulfamoyl]-2-hydroxybenzamide
SMILESNC(=O)c1cc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccccc3)cc2)ccc1O
InChIInChI=1S/C19H17N3O6S2/c20-19(24)17-12-16(10-11-18(17)23)30(27,28)22-14-8-6-13(7-9-14)21-29(25,26)15-4-2-1-3-5-15/h1-12,21-23H,(H2,20,24)
InChIKeyXHOOUTYMKPHTRG-UHFFFAOYSA-N
MW447.49 g/mol
LogP2.09
Rot. Bonds7

About 5-[[4-(benzenesulfonamido)phenyl]sulfamoyl]-2-hydroxybenzamide

5-[[4-(benzenesulfonamido)phenyl]sulfamoyl]-2-hydroxybenzamide (PubChem CID 130406207) has the molecular formula C19H17N3O6S2 and a molecular weight of 447.49 g/mol. Its IUPAC name is 5-[[4-(benzenesulfonamido)phenyl]sulfamoyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-[[4-(benzenesulfonamido)phenyl]sulfamoyl]-2-hydroxybenzamide
PubChem CID130406207
Molecular FormulaC19H17N3O6S2
Molecular Weight447.49 g/mol
Exact Mass447.06
IUPAC Name5-[[4-(benzenesulfonamido)phenyl]sulfamoyl]-2-hydroxybenzamide
SMILESNC(=O)c1cc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccccc3)cc2)ccc1O
InChIInChI=1S/C19H17N3O6S2/c20-19(24)17-12-16(10-11-18(17)23)30(27,28)22-14-8-6-13(7-9-14)21-29(25,26)15-4-2-1-3-5-15/h1-12,21-23H,(H2,20,24)
InChIKeyXHOOUTYMKPHTRG-UHFFFAOYSA-N
XLogP2.09
TPSA155.66 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 52.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_D(2)', 'substructure': 'N/A'}

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Related Compounds

5-[[3-(benzenesulfonamido)phenyl]sulfamoyl]-2-hydroxybenzamide
CID 130406327
2-hydroxy-5-[(3-hydroxyphenyl)sulfamoyl]benzamide
CID 130406151
5-[[4-[(3-carboxy-4-hydroxyphenyl)sulfonylamino]phenyl]sulfamoyl]-2-hydroxybenzoic acid
CID 25046771
2-hydroxy-5-[[3-(methanesulfonamido)phenyl]sulfamoyl]benzamide
CID 130406205
2-methyl-5-(phenylsulfamoyl)benzamide
CID 870864
2-hydroxy-5-[[4-(2-phenylethyl)phenyl]sulfamoyl]benzoic acid
CID 72695676
2-hydroxy-5-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 2133740
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
2-hydroxy-5-(1,2,3,4-tetrahydroquinolin-7-ylsulfamoyl)benzamide
CID 130406117
3-amino-4-hydroxy-N-phenylbenzenesulfonamide;hydrochloride
CID 3018876
2-[4-(benzenesulfonamido)phenyl]sulfonylguanidine
CID 2842661
2-hydroxy-5-[(E)-2-[4-(phenylsulfamoyl)phenyl]ethenyl]benzoic acid
CID 166033666

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(benzenesulfonamido)phenyl]sulfamoyl]-2-hydroxybenzamide?
The IUPAC name of 5-[[4-(benzenesulfonamido)phenyl]sulfamoyl]-2-hydroxybenzamide (CID 130406207) is 5-[[4-(benzenesulfonamido)phenyl]sulfamoyl]-2-hydroxybenzamide.
What is the SMILES notation for 5-[[4-(benzenesulfonamido)phenyl]sulfamoyl]-2-hydroxybenzamide?
The canonical SMILES for 5-[[4-(benzenesulfonamido)phenyl]sulfamoyl]-2-hydroxybenzamide is NC(=O)c1cc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccccc3)cc2)ccc1O.
What is the InChIKey of 5-[[4-(benzenesulfonamido)phenyl]sulfamoyl]-2-hydroxybenzamide?
The InChIKey is XHOOUTYMKPHTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O6S2/c20-19(24)17-12-16(10-11-18(17)23)30(27,28)22-14-8-6-13(7-9-14)21-29(25,26)15-4-2-1-3-5-15/h1-12,21-23H,(H2,20,24).
What are the key properties of 5-[[4-(benzenesulfonamido)phenyl]sulfamoyl]-2-hydroxybenzamide?
5-[[4-(benzenesulfonamido)phenyl]sulfamoyl]-2-hydroxybenzamide has a molecular weight of 447.49 g/mol, XLogP of 2.09, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(benzenesulfonamido)phenyl]sulfamoyl]-2-hydroxybenzamide is sourced from PubChem (CID 130406207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).