4-(2-hydroxyethylsulfonylamino)benzenesulfonamide

C8H12N2O5S2 — CID 79026491

IUPAC4-(2-hydroxyethylsulfonylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NS(=O)(=O)CCO)cc1
InChIInChI=1S/C8H12N2O5S2/c9-17(14,15)8-3-1-7(2-4-8)10-16(12,13)6-5-11/h1-4,10-11H,5-6H2,(H2,9,14,15)
InChIKeyJOLWCRAMVWSFPE-UHFFFAOYSA-N
MW280.33 g/mol
LogP-0.93
Rot. Bonds5

About 4-(2-hydroxyethylsulfonylamino)benzenesulfonamide

4-(2-hydroxyethylsulfonylamino)benzenesulfonamide (PubChem CID 79026491) has the molecular formula C8H12N2O5S2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-(2-hydroxyethylsulfonylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-hydroxyethylsulfonylamino)benzenesulfonamide
PubChem CID79026491
Molecular FormulaC8H12N2O5S2
Molecular Weight280.33 g/mol
Exact Mass280.02
IUPAC Name4-(2-hydroxyethylsulfonylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NS(=O)(=O)CCO)cc1
InChIInChI=1S/C8H12N2O5S2/c9-17(14,15)8-3-1-7(2-4-8)10-16(12,13)6-5-11/h1-4,10-11H,5-6H2,(H2,9,14,15)
InChIKeyJOLWCRAMVWSFPE-UHFFFAOYSA-N
XLogP-0.93
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-hydroxyethylsulfonylamino)benzenesulfonamide
CID 79026524
4-(4-chlorobutylsulfonylamino)benzenesulfonamide
CID 3018484
4-[2-(4-methoxyphenoxy)ethylsulfonylamino]benzenesulfonamide
CID 90518362
2-hydroxy-N-(4-propoxyphenyl)ethanesulfonamide
CID 79578942
(4-sulfamoylanilino)azanium chloride
CID 2736519
4-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide
CID 63247383
3-hydroxy-N-(4-methylphenyl)propane-1-sulfonamide
CID 94685063
N-(2-hydroxyethyl)-N'-(4-sulfamoylphenyl)oxamide
CID 108508767
4-(propylsulfamoylamino)benzenesulfonamide
CID 114812408
N-(3-amino-5-chlorophenyl)-2-hydroxyethanesulfonamide
CID 170104579
4-[2-(2-hydroxyethyl)anilino]benzenesulfonamide
CID 175398459
4-hydroxy-N-[4-(methoxymethyl)phenyl]butane-1-sulfonamide
CID 114252948

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethylsulfonylamino)benzenesulfonamide?
The IUPAC name of 4-(2-hydroxyethylsulfonylamino)benzenesulfonamide (CID 79026491) is 4-(2-hydroxyethylsulfonylamino)benzenesulfonamide.
What is the SMILES notation for 4-(2-hydroxyethylsulfonylamino)benzenesulfonamide?
The canonical SMILES for 4-(2-hydroxyethylsulfonylamino)benzenesulfonamide is NS(=O)(=O)c1ccc(NS(=O)(=O)CCO)cc1.
What is the InChIKey of 4-(2-hydroxyethylsulfonylamino)benzenesulfonamide?
The InChIKey is JOLWCRAMVWSFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O5S2/c9-17(14,15)8-3-1-7(2-4-8)10-16(12,13)6-5-11/h1-4,10-11H,5-6H2,(H2,9,14,15).
What are the key properties of 4-(2-hydroxyethylsulfonylamino)benzenesulfonamide?
4-(2-hydroxyethylsulfonylamino)benzenesulfonamide has a molecular weight of 280.33 g/mol, XLogP of -0.93, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethylsulfonylamino)benzenesulfonamide is sourced from PubChem (CID 79026491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).