2-[2-[[2-hydroxy-3-(1H-indazol-4-yloxy)propyl]amino]ethoxy]benzenesulfonamide

C18H22N4O5S — CID 20527586

IUPAC2-[2-[[2-hydroxy-3-(1H-indazol-4-yloxy)propyl]amino]ethoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1OCCNCC(O)COc1cccc2[nH]ncc12
InChIInChI=1S/C18H22N4O5S/c19-28(24,25)18-7-2-1-5-17(18)26-9-8-20-10-13(23)12-27-16-6-3-4-15-14(16)11-21-22-15/h1-7,11,13,20,23H,8-10,12H2,(H,21,22)(H2,19,24,25)
InChIKeySSIFYQDGWWRGPQ-UHFFFAOYSA-N
MW406.46 g/mol
LogP0.62
Rot. Bonds10

About 2-[2-[[2-hydroxy-3-(1H-indazol-4-yloxy)propyl]amino]ethoxy]benzenesulfonamide

2-[2-[[2-hydroxy-3-(1H-indazol-4-yloxy)propyl]amino]ethoxy]benzenesulfonamide (PubChem CID 20527586) has the molecular formula C18H22N4O5S and a molecular weight of 406.46 g/mol. Its IUPAC name is 2-[2-[[2-hydroxy-3-(1H-indazol-4-yloxy)propyl]amino]ethoxy]benzenesulfonamide.

Molecular Properties

Compound Name2-[2-[[2-hydroxy-3-(1H-indazol-4-yloxy)propyl]amino]ethoxy]benzenesulfonamide
PubChem CID20527586
Molecular FormulaC18H22N4O5S
Molecular Weight406.46 g/mol
Exact Mass406.13
IUPAC Name2-[2-[[2-hydroxy-3-(1H-indazol-4-yloxy)propyl]amino]ethoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1OCCNCC(O)COc1cccc2[nH]ncc12
InChIInChI=1S/C18H22N4O5S/c19-28(24,25)18-7-2-1-5-17(18)26-9-8-20-10-13(23)12-27-16-6-3-4-15-14(16)11-21-22-15/h1-7,11,13,20,23H,8-10,12H2,(H,21,22)(H2,19,24,25)
InChIKeySSIFYQDGWWRGPQ-UHFFFAOYSA-N
XLogP0.62
TPSA139.56 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 50.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-(1H-indazol-6-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
CID 72710965
1-(2-benzhydryloxyethylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 110193984
1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
CID 2585
1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;hydrochloride
CID 11419372
1-(2,3-diaminophenoxy)-3-(2-phenoxyethylamino)propan-2-ol
CID 150763746
1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;propan-2-ol;hydrobromide
CID 11376246
(2S)-1-[2-(2-methoxyphenoxy)ethylamino]-3-(6,7,8,9-tetrahydro-5H-carbazol-4-yloxy)propan-2-ol
CID 95162870
1-(3-methoxypropylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol
CID 3763936
1-(3-aminopropylamino)-3-naphthalen-1-yloxypropan-2-ol;hydrochloride
CID 90672311
4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]naphthalene-1-sulfonamide
CID 129396178
2-[2-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]acetamide
CID 70440804
3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]propanal;propane
CID 155698850

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-hydroxy-3-(1H-indazol-4-yloxy)propyl]amino]ethoxy]benzenesulfonamide?
The IUPAC name of 2-[2-[[2-hydroxy-3-(1H-indazol-4-yloxy)propyl]amino]ethoxy]benzenesulfonamide (CID 20527586) is 2-[2-[[2-hydroxy-3-(1H-indazol-4-yloxy)propyl]amino]ethoxy]benzenesulfonamide.
What is the SMILES notation for 2-[2-[[2-hydroxy-3-(1H-indazol-4-yloxy)propyl]amino]ethoxy]benzenesulfonamide?
The canonical SMILES for 2-[2-[[2-hydroxy-3-(1H-indazol-4-yloxy)propyl]amino]ethoxy]benzenesulfonamide is NS(=O)(=O)c1ccccc1OCCNCC(O)COc1cccc2[nH]ncc12.
What is the InChIKey of 2-[2-[[2-hydroxy-3-(1H-indazol-4-yloxy)propyl]amino]ethoxy]benzenesulfonamide?
The InChIKey is SSIFYQDGWWRGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O5S/c19-28(24,25)18-7-2-1-5-17(18)26-9-8-20-10-13(23)12-27-16-6-3-4-15-14(16)11-21-22-15/h1-7,11,13,20,23H,8-10,12H2,(H,21,22)(H2,19,24,25).
What are the key properties of 2-[2-[[2-hydroxy-3-(1H-indazol-4-yloxy)propyl]amino]ethoxy]benzenesulfonamide?
2-[2-[[2-hydroxy-3-(1H-indazol-4-yloxy)propyl]amino]ethoxy]benzenesulfonamide has a molecular weight of 406.46 g/mol, XLogP of 0.62, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-hydroxy-3-(1H-indazol-4-yloxy)propyl]amino]ethoxy]benzenesulfonamide is sourced from PubChem (CID 20527586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).