2-(morpholin-4-ylsulfamoyl)-5-sulfamoylbenzenesulfonic acid

C10H15N3O8S3 — CID 173310746

IUPAC2-(morpholin-4-ylsulfamoyl)-5-sulfamoylbenzenesulfonic acid
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)NN2CCOCC2)c(S(=O)(=O)O)c1
InChIInChI=1S/C10H15N3O8S3/c11-22(14,15)8-1-2-9(10(7-8)24(18,19)20)23(16,17)12-13-3-5-21-6-4-13/h1-2,7,12H,3-6H2,(H2,11,14,15)(H,18,19,20)
InChIKeyUDCZZAOFFSVFLZ-UHFFFAOYSA-N
MW401.44 g/mol
LogP-1.89
Rot. Bonds5

About 2-(morpholin-4-ylsulfamoyl)-5-sulfamoylbenzenesulfonic acid

2-(morpholin-4-ylsulfamoyl)-5-sulfamoylbenzenesulfonic acid (PubChem CID 173310746) has the molecular formula C10H15N3O8S3 and a molecular weight of 401.44 g/mol. Its IUPAC name is 2-(morpholin-4-ylsulfamoyl)-5-sulfamoylbenzenesulfonic acid.

Molecular Properties

Compound Name2-(morpholin-4-ylsulfamoyl)-5-sulfamoylbenzenesulfonic acid
PubChem CID173310746
Molecular FormulaC10H15N3O8S3
Molecular Weight401.44 g/mol
Exact Mass401.00
IUPAC Name2-(morpholin-4-ylsulfamoyl)-5-sulfamoylbenzenesulfonic acid
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)NN2CCOCC2)c(S(=O)(=O)O)c1
InChIInChI=1S/C10H15N3O8S3/c11-22(14,15)8-1-2-9(10(7-8)24(18,19)20)23(16,17)12-13-3-5-21-6-4-13/h1-2,7,12H,3-6H2,(H2,11,14,15)(H,18,19,20)
InChIKeyUDCZZAOFFSVFLZ-UHFFFAOYSA-N
XLogP-1.89
TPSA173.17 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 5-1.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-N-morpholin-4-ylbenzenesulfonamide
CID 19682519
5-amino-2,4-difluoro-N-morpholin-4-ylbenzenesulfonamide
CID 83013153
4-(morpholin-4-ylamino)benzenesulfonamide
CID 83026277
3,4-dimethyl-N-morpholin-4-ylbenzenesulfonamide
CID 19682522
N-morpholin-4-yl-4-(trifluoromethoxy)benzenesulfonamide
CID 4998109
2-hydrazinyl-N-morpholin-4-yl-4-nitrobenzenesulfonamide
CID 83018414
4-[hydroxy(oxido)amino]-N-morpholin-4-ylbenzenesulfonamide
CID 21139487
2-fluoro-N-morpholin-4-ylbenzenesulfonamide
CID 3535200
5-hydrazinyl-N-morpholin-4-yl-2-nitrobenzenesulfonamide
CID 83018411
3-methylsulfonyl-4-[4-(morpholine-4-carbonyl)piperazin-1-yl]benzenesulfonamide
CID 56563902
2-hydrazinyl-N-morpholin-4-yl-5-nitrobenzenesulfonamide
CID 83018413
4-(aminomethyl)-3-methyl-N-morpholin-4-ylbenzenesulfonamide
CID 106919541

Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-4-ylsulfamoyl)-5-sulfamoylbenzenesulfonic acid?
The IUPAC name of 2-(morpholin-4-ylsulfamoyl)-5-sulfamoylbenzenesulfonic acid (CID 173310746) is 2-(morpholin-4-ylsulfamoyl)-5-sulfamoylbenzenesulfonic acid.
What is the SMILES notation for 2-(morpholin-4-ylsulfamoyl)-5-sulfamoylbenzenesulfonic acid?
The canonical SMILES for 2-(morpholin-4-ylsulfamoyl)-5-sulfamoylbenzenesulfonic acid is NS(=O)(=O)c1ccc(S(=O)(=O)NN2CCOCC2)c(S(=O)(=O)O)c1.
What is the InChIKey of 2-(morpholin-4-ylsulfamoyl)-5-sulfamoylbenzenesulfonic acid?
The InChIKey is UDCZZAOFFSVFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O8S3/c11-22(14,15)8-1-2-9(10(7-8)24(18,19)20)23(16,17)12-13-3-5-21-6-4-13/h1-2,7,12H,3-6H2,(H2,11,14,15)(H,18,19,20).
What are the key properties of 2-(morpholin-4-ylsulfamoyl)-5-sulfamoylbenzenesulfonic acid?
2-(morpholin-4-ylsulfamoyl)-5-sulfamoylbenzenesulfonic acid has a molecular weight of 401.44 g/mol, XLogP of -1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ylsulfamoyl)-5-sulfamoylbenzenesulfonic acid is sourced from PubChem (CID 173310746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).