2-[4-(4-aminophenyl)sulfonylanilino]ethanol

C14H16N2O3S — CID 6622

IUPAC2-[4-(4-aminophenyl)sulfonylanilino]ethanol
SMILESNc1ccc(S(=O)(=O)c2ccc(NCCO)cc2)cc1
InChIInChI=1S/C14H16N2O3S/c15-11-1-5-13(6-2-11)20(18,19)14-7-3-12(4-8-14)16-9-10-17/h1-8,16-17H,9-10,15H2
InChIKeyLLBKEUTWJFQRJU-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.51
Rot. Bonds5

About 2-[4-(4-aminophenyl)sulfonylanilino]ethanol

2-[4-(4-aminophenyl)sulfonylanilino]ethanol (PubChem CID 6622) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-[4-(4-aminophenyl)sulfonylanilino]ethanol.

Molecular Properties

Compound Name2-[4-(4-aminophenyl)sulfonylanilino]ethanol
PubChem CID6622
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name2-[4-(4-aminophenyl)sulfonylanilino]ethanol
SMILESNc1ccc(S(=O)(=O)c2ccc(NCCO)cc2)cc1
InChIInChI=1S/C14H16N2O3S/c15-11-1-5-13(6-2-11)20(18,19)14-7-3-12(4-8-14)16-9-10-17/h1-8,16-17H,9-10,15H2
InChIKeyLLBKEUTWJFQRJU-UHFFFAOYSA-N
XLogP1.51
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Sulfoxone
CID 5351
Acediasulfone
CID 66451
4-(4-Benzenesulfonylphenyl)piperazine
CID 5113605
Acetanilide, 4'-(bis(2-hydroxyethyl)sulfamoyl)-
CID 97561
N,N'-(Sulfonyldi-4,1-phenylene)bis(formamide)
CID 23230
Acediasulfone Sodium
CID 23677986
4-[4-(Phenylsulfonyl)phenyl]morpholine
CID 726898
Piperazine moiety, 5
CID 57339812
2-({2-Nitro-4-[(3-nitrophenyl)sulfonyl]phenyl}amino)ethanol
CID 2850596
Methyl 2-[4-(4-aminophenyl)sulfonylanilino]acetate
CID 296066
4-[4-(Methylamino)phenyl]sulfonylaniline
CID 504062
4-[(4-Aminophenyl)sulfonyl]-n-propylaniline
CID 223181

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-aminophenyl)sulfonylanilino]ethanol?
The IUPAC name of 2-[4-(4-aminophenyl)sulfonylanilino]ethanol (CID 6622) is 2-[4-(4-aminophenyl)sulfonylanilino]ethanol.
What is the SMILES notation for 2-[4-(4-aminophenyl)sulfonylanilino]ethanol?
The canonical SMILES for 2-[4-(4-aminophenyl)sulfonylanilino]ethanol is Nc1ccc(S(=O)(=O)c2ccc(NCCO)cc2)cc1.
What is the InChIKey of 2-[4-(4-aminophenyl)sulfonylanilino]ethanol?
The InChIKey is LLBKEUTWJFQRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c15-11-1-5-13(6-2-11)20(18,19)14-7-3-12(4-8-14)16-9-10-17/h1-8,16-17H,9-10,15H2.
What are the key properties of 2-[4-(4-aminophenyl)sulfonylanilino]ethanol?
2-[4-(4-aminophenyl)sulfonylanilino]ethanol has a molecular weight of 292.36 g/mol, XLogP of 1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-aminophenyl)sulfonylanilino]ethanol is sourced from PubChem (CID 6622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).