3-(2-hydroxyethylsulfonylamino)benzenesulfonamide

C8H12N2O5S2 — CID 79026524

IUPAC3-(2-hydroxyethylsulfonylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(NS(=O)(=O)CCO)c1
InChIInChI=1S/C8H12N2O5S2/c9-17(14,15)8-3-1-2-7(6-8)10-16(12,13)5-4-11/h1-3,6,10-11H,4-5H2,(H2,9,14,15)
InChIKeyJCTXETBAPPPESV-UHFFFAOYSA-N
MW280.33 g/mol
LogP-0.93
Rot. Bonds5

About 3-(2-hydroxyethylsulfonylamino)benzenesulfonamide

3-(2-hydroxyethylsulfonylamino)benzenesulfonamide (PubChem CID 79026524) has the molecular formula C8H12N2O5S2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-(2-hydroxyethylsulfonylamino)benzenesulfonamide.

Molecular Properties

Compound Name3-(2-hydroxyethylsulfonylamino)benzenesulfonamide
PubChem CID79026524
Molecular FormulaC8H12N2O5S2
Molecular Weight280.33 g/mol
Exact Mass280.02
IUPAC Name3-(2-hydroxyethylsulfonylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(NS(=O)(=O)CCO)c1
InChIInChI=1S/C8H12N2O5S2/c9-17(14,15)8-3-1-2-7(6-8)10-16(12,13)5-4-11/h1-3,6,10-11H,4-5H2,(H2,9,14,15)
InChIKeyJCTXETBAPPPESV-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-methylsulfonylethylsulfonylamino)benzenesulfonamide
CID 63243241
4-(2-hydroxyethylsulfonylamino)benzenesulfonamide
CID 79026491
3-(3,3-dimethylbutylsulfonylamino)benzenesulfonamide
CID 103727879
methyl 3-[(3-sulfamoylphenyl)sulfamoyl]propanoate
CID 60675335
methyl 4-[(3-sulfamoylphenyl)sulfamoyl]butanoate
CID 61457458
2-hydroxy-N-(3-methoxyphenyl)ethanesulfonamide
CID 79026619
N-(3-cyanophenyl)-2-hydroxyethanesulfonamide
CID 79026439
3-[(3-chloro-2-methylpropyl)sulfonylamino]benzenesulfonamide
CID 79585777
3-(ethylsulfamoylamino)benzenesulfonamide
CID 114812411
3-[(3-hydroxyphenyl)sulfonylamino]benzenesulfonamide
CID 81264911
4-hydroxy-N-(3-sulfamoylphenyl)butanamide
CID 79200940
2-(3-hydrazinylphenyl)sulfonylethanol
CID 18959871

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethylsulfonylamino)benzenesulfonamide?
The IUPAC name of 3-(2-hydroxyethylsulfonylamino)benzenesulfonamide (CID 79026524) is 3-(2-hydroxyethylsulfonylamino)benzenesulfonamide.
What is the SMILES notation for 3-(2-hydroxyethylsulfonylamino)benzenesulfonamide?
The canonical SMILES for 3-(2-hydroxyethylsulfonylamino)benzenesulfonamide is NS(=O)(=O)c1cccc(NS(=O)(=O)CCO)c1.
What is the InChIKey of 3-(2-hydroxyethylsulfonylamino)benzenesulfonamide?
The InChIKey is JCTXETBAPPPESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O5S2/c9-17(14,15)8-3-1-2-7(6-8)10-16(12,13)5-4-11/h1-3,6,10-11H,4-5H2,(H2,9,14,15).
What are the key properties of 3-(2-hydroxyethylsulfonylamino)benzenesulfonamide?
3-(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 3-(2-hydroxyethylsulfonylamino)benzenesulfonamide is sourced from PubChem (CID 79026524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).