4-[2-hydroxy-3-[2-(phenylsulfamoylamino)ethylamino]propoxy]phenol

C17H23N3O5S — CID 12681876

IUPAC4-[2-hydroxy-3-[2-(phenylsulfamoylamino)ethylamino]propoxy]phenol
SMILESO=S(=O)(NCCNCC(O)COc1ccc(O)cc1)Nc1ccccc1
InChIInChI=1S/C17H23N3O5S/c21-15-6-8-17(9-7-15)25-13-16(22)12-18-10-11-19-26(23,24)20-14-4-2-1-3-5-14/h1-9,16,18-22H,10-13H2
InChIKeyTURKSFWGCCTQCE-UHFFFAOYSA-N
MW381.45 g/mol
LogP0.67
Rot. Bonds11

About 4-[2-hydroxy-3-[2-(phenylsulfamoylamino)ethylamino]propoxy]phenol

4-[2-hydroxy-3-[2-(phenylsulfamoylamino)ethylamino]propoxy]phenol (PubChem CID 12681876) has the molecular formula C17H23N3O5S and a molecular weight of 381.45 g/mol. Its IUPAC name is 4-[2-hydroxy-3-[2-(phenylsulfamoylamino)ethylamino]propoxy]phenol.

Molecular Properties

Compound Name4-[2-hydroxy-3-[2-(phenylsulfamoylamino)ethylamino]propoxy]phenol
PubChem CID12681876
Molecular FormulaC17H23N3O5S
Molecular Weight381.45 g/mol
Exact Mass381.14
IUPAC Name4-[2-hydroxy-3-[2-(phenylsulfamoylamino)ethylamino]propoxy]phenol
SMILESO=S(=O)(NCCNCC(O)COc1ccc(O)cc1)Nc1ccccc1
InChIInChI=1S/C17H23N3O5S/c21-15-6-8-17(9-7-15)25-13-16(22)12-18-10-11-19-26(23,24)20-14-4-2-1-3-5-14/h1-9,16,18-22H,10-13H2
InChIKeyTURKSFWGCCTQCE-UHFFFAOYSA-N
XLogP0.67
TPSA119.92 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 50.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[2-(dimethylsulfamoylamino)ethylamino]-2-hydroxypropoxy]-4-hydroxybenzene
CID 12681869
N-[4-[(2S)-2-hydroxy-3-[2-(4-hydroxyphenyl)ethylamino]propoxy]phenyl]methanesulfonamide
CID 25107693
4-[2-hydroxy-3-(2-hydroxyethylamino)propoxy]phenol
CID 11481559
4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenol
CID 12541329
4-[(2S)-3-(2-aminoethylamino)-2-hydroxypropoxy]phenol
CID 118334706
4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenol;oxalic acid
CID 12541330
N-[2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]ethyl]methanesulfonamide
CID 60909902
N-[2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]methanesulfonamide
CID 60909620
3-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]propyl 2-phenoxyacetate
CID 67677147
(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol
CID 7037801
(2R)-1-[4-[(2R)-2-hydroxy-3-(2-phenylethylamino)propoxy]phenoxy]-3-(2-phenylethylamino)propan-2-ol
CID 41066855
N-[4-[(2S)-3-[2-(3,5-dihydroxyphenyl)ethylamino]-2-hydroxypropoxy]phenyl]methanesulfonamide
CID 25107956

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxy-3-[2-(phenylsulfamoylamino)ethylamino]propoxy]phenol?
The IUPAC name of 4-[2-hydroxy-3-[2-(phenylsulfamoylamino)ethylamino]propoxy]phenol (CID 12681876) is 4-[2-hydroxy-3-[2-(phenylsulfamoylamino)ethylamino]propoxy]phenol.
What is the SMILES notation for 4-[2-hydroxy-3-[2-(phenylsulfamoylamino)ethylamino]propoxy]phenol?
The canonical SMILES for 4-[2-hydroxy-3-[2-(phenylsulfamoylamino)ethylamino]propoxy]phenol is O=S(=O)(NCCNCC(O)COc1ccc(O)cc1)Nc1ccccc1.
What is the InChIKey of 4-[2-hydroxy-3-[2-(phenylsulfamoylamino)ethylamino]propoxy]phenol?
The InChIKey is TURKSFWGCCTQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O5S/c21-15-6-8-17(9-7-15)25-13-16(22)12-18-10-11-19-26(23,24)20-14-4-2-1-3-5-14/h1-9,16,18-22H,10-13H2.
What are the key properties of 4-[2-hydroxy-3-[2-(phenylsulfamoylamino)ethylamino]propoxy]phenol?
4-[2-hydroxy-3-[2-(phenylsulfamoylamino)ethylamino]propoxy]phenol has a molecular weight of 381.45 g/mol, XLogP of 0.67, 11 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxy-3-[2-(phenylsulfamoylamino)ethylamino]propoxy]phenol is sourced from PubChem (CID 12681876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).