3-amino-4-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide

C14H16N2O4S — CID 61237820

IUPAC3-amino-4-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NCCc2ccc(O)cc2)ccc1O
InChIInChI=1S/C14H16N2O4S/c15-13-9-12(5-6-14(13)18)21(19,20)16-8-7-10-1-3-11(17)4-2-10/h1-6,9,16-18H,7-8,15H2
InChIKeyIAFYTAVMVGHIIE-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.20
Rot. Bonds5

About 3-amino-4-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide

3-amino-4-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide (PubChem CID 61237820) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 3-amino-4-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
PubChem CID61237820
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name3-amino-4-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NCCc2ccc(O)cc2)ccc1O
InChIInChI=1S/C14H16N2O4S/c15-13-9-12(5-6-14(13)18)21(19,20)16-8-7-10-1-3-11(17)4-2-10/h1-6,9,16-18H,7-8,15H2
InChIKeyIAFYTAVMVGHIIE-UHFFFAOYSA-N
XLogP1.20
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 61239053
4-amino-3-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 82845702
3-amino-4-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide
CID 43345879
3-amino-4-hydroxy-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 60895708
3-amino-4-hydroxy-N-(4-hydroxybutyl)benzenesulfonamide
CID 106840203
N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 10424386
3-amino-4-hydroxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106413793
3-amino-4-hydroxy-N-pentylbenzenesulfonamide
CID 29051411
3-amino-4-hydroxy-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106333265
3-amino-4-hydroxy-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride
CID 53405187
3-chloro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 61017413
3-amino-N-ethyl-4-hydroxybenzenesulfonamide;hydrochloride
CID 53432788

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 3-amino-4-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide (CID 61237820) is 3-amino-4-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-4-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-amino-4-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide is Nc1cc(S(=O)(=O)NCCc2ccc(O)cc2)ccc1O.
What is the InChIKey of 3-amino-4-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide?
The InChIKey is IAFYTAVMVGHIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c15-13-9-12(5-6-14(13)18)21(19,20)16-8-7-10-1-3-11(17)4-2-10/h1-6,9,16-18H,7-8,15H2.
What are the key properties of 3-amino-4-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide?
3-amino-4-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide has a molecular weight of 308.36 g/mol, XLogP of 1.20, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 61237820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).