2-[4-[4-(2-hydroxyethylamino)phenyl]sulfonylanilino]ethanol

C16H20N2O4S — CID 91347056

IUPAC2-[4-[4-(2-hydroxyethylamino)phenyl]sulfonylanilino]ethanol
SMILESO=S(=O)(c1ccc(NCCO)cc1)c1ccc(NCCO)cc1
InChIInChI=1S/C16H20N2O4S/c19-11-9-17-13-1-5-15(6-2-13)23(21,22)16-7-3-14(4-8-16)18-10-12-20/h1-8,17-20H,9-12H2
InChIKeyKWBYMZYSDJPECT-UHFFFAOYSA-N
MW336.41 g/mol
LogP1.33
Rot. Bonds8

About 2-[4-[4-(2-hydroxyethylamino)phenyl]sulfonylanilino]ethanol

2-[4-[4-(2-hydroxyethylamino)phenyl]sulfonylanilino]ethanol (PubChem CID 91347056) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is 2-[4-[4-(2-hydroxyethylamino)phenyl]sulfonylanilino]ethanol.

Molecular Properties

Compound Name2-[4-[4-(2-hydroxyethylamino)phenyl]sulfonylanilino]ethanol
PubChem CID91347056
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name2-[4-[4-(2-hydroxyethylamino)phenyl]sulfonylanilino]ethanol
SMILESO=S(=O)(c1ccc(NCCO)cc1)c1ccc(NCCO)cc1
InChIInChI=1S/C16H20N2O4S/c19-11-9-17-13-1-5-15(6-2-13)23(21,22)16-7-3-14(4-8-16)18-10-12-20/h1-8,17-20H,9-12H2
InChIKeyKWBYMZYSDJPECT-UHFFFAOYSA-N
XLogP1.33
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

Acedapsone
CID 6477
Sulfoxone
CID 5351
Sulfoxone Sodium
CID 8954
Acediasulfone
CID 66451
2-p-Sulfanilylanilinoethanol
CID 6622
N,N'-(Sulfonyldi-4,1-phenylene)bis(formamide)
CID 23230
4-(4-Benzenesulfonylphenyl)piperazine
CID 5113605
Acetanilide, 4'-(bis(2-hydroxyethyl)sulfamoyl)-
CID 97561
4-[4-(Phenylsulfonyl)phenyl]morpholine
CID 726898
Methyl 2-[4-(4-aminophenyl)sulfonylanilino]acetate
CID 296066
4-[4-(Methylamino)phenyl]sulfonylaniline
CID 504062
Acediasulfone Sodium
CID 23677986

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2-hydroxyethylamino)phenyl]sulfonylanilino]ethanol?
The IUPAC name of 2-[4-[4-(2-hydroxyethylamino)phenyl]sulfonylanilino]ethanol (CID 91347056) is 2-[4-[4-(2-hydroxyethylamino)phenyl]sulfonylanilino]ethanol.
What is the SMILES notation for 2-[4-[4-(2-hydroxyethylamino)phenyl]sulfonylanilino]ethanol?
The canonical SMILES for 2-[4-[4-(2-hydroxyethylamino)phenyl]sulfonylanilino]ethanol is O=S(=O)(c1ccc(NCCO)cc1)c1ccc(NCCO)cc1.
What is the InChIKey of 2-[4-[4-(2-hydroxyethylamino)phenyl]sulfonylanilino]ethanol?
The InChIKey is KWBYMZYSDJPECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c19-11-9-17-13-1-5-15(6-2-13)23(21,22)16-7-3-14(4-8-16)18-10-12-20/h1-8,17-20H,9-12H2.
What are the key properties of 2-[4-[4-(2-hydroxyethylamino)phenyl]sulfonylanilino]ethanol?
2-[4-[4-(2-hydroxyethylamino)phenyl]sulfonylanilino]ethanol has a molecular weight of 336.41 g/mol, XLogP of 1.33, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2-hydroxyethylamino)phenyl]sulfonylanilino]ethanol is sourced from PubChem (CID 91347056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).