[4-(dimethylsulfamoyl)phenyl] hydrogen sulfate

C8H11NO6S2 — CID 156503905

IUPAC[4-(dimethylsulfamoyl)phenyl] hydrogen sulfate
SMILESCN(C)S(=O)(=O)c1ccc(OS(=O)(=O)O)cc1
InChIInChI=1S/C8H11NO6S2/c1-9(2)16(10,11)8-5-3-7(4-6-8)15-17(12,13)14/h3-6H,1-2H3,(H,12,13,14)
InChIKeyXNIGJXKDIVZEGM-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.12
Rot. Bonds4

About [4-(dimethylsulfamoyl)phenyl] hydrogen sulfate

[4-(dimethylsulfamoyl)phenyl] hydrogen sulfate (PubChem CID 156503905) has the molecular formula C8H11NO6S2 and a molecular weight of 281.31 g/mol. Its IUPAC name is [4-(dimethylsulfamoyl)phenyl] hydrogen sulfate.

Molecular Properties

Compound Name[4-(dimethylsulfamoyl)phenyl] hydrogen sulfate
PubChem CID156503905
Molecular FormulaC8H11NO6S2
Molecular Weight281.31 g/mol
Exact Mass281.00
IUPAC Name[4-(dimethylsulfamoyl)phenyl] hydrogen sulfate
SMILESCN(C)S(=O)(=O)c1ccc(OS(=O)(=O)O)cc1
InChIInChI=1S/C8H11NO6S2/c1-9(2)16(10,11)8-5-3-7(4-6-8)15-17(12,13)14/h3-6H,1-2H3,(H,12,13,14)
InChIKeyXNIGJXKDIVZEGM-UHFFFAOYSA-N
XLogP0.12
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [4-(dimethylsulfamoyl)phenyl] hydrogen sulfate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-hydroxyethoxy)-N,N-dimethylbenzenesulfonamide
CID 63102404
4-(4-aminophenoxy)-N,N-dimethylbenzenesulfonamide
CID 12943036
[4-(dimethylsulfamoyl)phenyl] 2-methylprop-2-enoate
CID 68577631
methyl 2-[4-(dimethylsulfamoyl)phenoxy]acetate
CID 47215115
[4-(dimethylsulfamoyl)phenyl]methanesulfonic acid
CID 175413171
4-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 16784503
CID 90391328
CID 90391328
lithium;(4-tert-butylphenyl) hydrogen sulfate;hydride
CID 173469296
(4-ethylphenyl) hydrogen sulfate;hydrate
CID 141479577
N,N-dimethyl-4-[2-[methyl(2-phenoxyethyl)amino]ethoxy]benzenesulfonamide
CID 34689424
4-[4-(dimethylsulfamoyl)phenyl]-2-methoxybenzoic acid
CID 53228823
4-[3-(4-fluorophenoxy)phenoxy]-N,N-dimethylbenzenesulfonamide
CID 141362712

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylsulfamoyl)phenyl] hydrogen sulfate?
The IUPAC name of [4-(dimethylsulfamoyl)phenyl] hydrogen sulfate (CID 156503905) is [4-(dimethylsulfamoyl)phenyl] hydrogen sulfate.
What is the SMILES notation for [4-(dimethylsulfamoyl)phenyl] hydrogen sulfate?
The canonical SMILES for [4-(dimethylsulfamoyl)phenyl] hydrogen sulfate is CN(C)S(=O)(=O)c1ccc(OS(=O)(=O)O)cc1.
What is the InChIKey of [4-(dimethylsulfamoyl)phenyl] hydrogen sulfate?
The InChIKey is XNIGJXKDIVZEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO6S2/c1-9(2)16(10,11)8-5-3-7(4-6-8)15-17(12,13)14/h3-6H,1-2H3,(H,12,13,14).
What are the key properties of [4-(dimethylsulfamoyl)phenyl] hydrogen sulfate?
[4-(dimethylsulfamoyl)phenyl] hydrogen sulfate has a molecular weight of 281.31 g/mol, XLogP of 0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylsulfamoyl)phenyl] hydrogen sulfate is sourced from PubChem (CID 156503905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).