4-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzenesulfonamide

C15H16N2O3S — CID 43636972

IUPAC4-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NC2CCc3c(O)cccc32)cc1
InChIInChI=1S/C15H16N2O3S/c16-21(19,20)11-6-4-10(5-7-11)17-14-9-8-13-12(14)2-1-3-15(13)18/h1-7,14,17-18H,8-9H2,(H2,16,19,20)
InChIKeyDDVYXSUGVSWBDX-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.14
Rot. Bonds3

About 4-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzenesulfonamide

4-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzenesulfonamide (PubChem CID 43636972) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 4-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzenesulfonamide
PubChem CID43636972
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name4-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NC2CCc3c(O)cccc32)cc1
InChIInChI=1S/C15H16N2O3S/c16-21(19,20)11-6-4-10(5-7-11)17-14-9-8-13-12(14)2-1-3-15(13)18/h1-7,14,17-18H,8-9H2,(H2,16,19,20)
InChIKeyDDVYXSUGVSWBDX-UHFFFAOYSA-N
XLogP2.14
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzenesulfonamide?
The IUPAC name of 4-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzenesulfonamide (CID 43636972) is 4-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzenesulfonamide?
The canonical SMILES for 4-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzenesulfonamide is NS(=O)(=O)c1ccc(NC2CCc3c(O)cccc32)cc1.
What is the InChIKey of 4-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzenesulfonamide?
The InChIKey is DDVYXSUGVSWBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c16-21(19,20)11-6-4-10(5-7-11)17-14-9-8-13-12(14)2-1-3-15(13)18/h1-7,14,17-18H,8-9H2,(H2,16,19,20).
What are the key properties of 4-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzenesulfonamide?
4-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzenesulfonamide has a molecular weight of 304.37 g/mol, XLogP of 2.14, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzenesulfonamide is sourced from PubChem (CID 43636972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).