2-(4-aminophenoxy)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide

C21H20N2O4S — CID 89047380

IUPAC2-(4-aminophenoxy)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide
SMILESNc1ccc(Oc2ccccc2S(=O)(=O)NC2c3ccccc3CC2O)cc1
InChIInChI=1S/C21H20N2O4S/c22-15-9-11-16(12-10-15)27-19-7-3-4-8-20(19)28(25,26)23-21-17-6-2-1-5-14(17)13-18(21)24/h1-12,18,21,23-24H,13,22H2
InChIKeyXLBMTFNACYCUSH-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.00
Rot. Bonds5

About 2-(4-aminophenoxy)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide

2-(4-aminophenoxy)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide (PubChem CID 89047380) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-(4-aminophenoxy)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide
PubChem CID89047380
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC Name2-(4-aminophenoxy)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide
SMILESNc1ccc(Oc2ccccc2S(=O)(=O)NC2c3ccccc3CC2O)cc1
InChIInChI=1S/C21H20N2O4S/c22-15-9-11-16(12-10-15)27-19-7-3-4-8-20(19)28(25,26)23-21-17-6-2-1-5-14(17)13-18(21)24/h1-12,18,21,23-24H,13,22H2
InChIKeyXLBMTFNACYCUSH-UHFFFAOYSA-N
XLogP3.00
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide?
The IUPAC name of 2-(4-aminophenoxy)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide (CID 89047380) is 2-(4-aminophenoxy)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide.
What is the SMILES notation for 2-(4-aminophenoxy)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide?
The canonical SMILES for 2-(4-aminophenoxy)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide is Nc1ccc(Oc2ccccc2S(=O)(=O)NC2c3ccccc3CC2O)cc1.
What is the InChIKey of 2-(4-aminophenoxy)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide?
The InChIKey is XLBMTFNACYCUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S/c22-15-9-11-16(12-10-15)27-19-7-3-4-8-20(19)28(25,26)23-21-17-6-2-1-5-14(17)13-18(21)24/h1-12,18,21,23-24H,13,22H2.
What are the key properties of 2-(4-aminophenoxy)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide?
2-(4-aminophenoxy)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide has a molecular weight of 396.47 g/mol, XLogP of 3.00, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide is sourced from PubChem (CID 89047380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).