3-amino-4-hydroxy-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride

C9H15ClN2O4S — CID 53405187

IUPAC3-amino-4-hydroxy-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride
SMILESCOCCNS(=O)(=O)c1ccc(O)c(N)c1.Cl
InChIInChI=1S/C9H14N2O4S.ClH/c1-15-5-4-11-16(13,14)7-2-3-9(12)8(10)6-7;/h2-3,6,11-12H,4-5,10H2,1H3;1H
InChIKeyUDYXDRMCLHMSOM-UHFFFAOYSA-N
MW282.75 g/mol
LogP0.32
Rot. Bonds5

About 3-amino-4-hydroxy-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride

3-amino-4-hydroxy-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride (PubChem CID 53405187) has the molecular formula C9H15ClN2O4S and a molecular weight of 282.75 g/mol. Its IUPAC name is 3-amino-4-hydroxy-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-amino-4-hydroxy-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride
PubChem CID53405187
Molecular FormulaC9H15ClN2O4S
Molecular Weight282.75 g/mol
Exact Mass282.04
IUPAC Name3-amino-4-hydroxy-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride
SMILESCOCCNS(=O)(=O)c1ccc(O)c(N)c1.Cl
InChIInChI=1S/C9H14N2O4S.ClH/c1-15-5-4-11-16(13,14)7-2-3-9(12)8(10)6-7;/h2-3,6,11-12H,4-5,10H2,1H3;1H
InChIKeyUDYXDRMCLHMSOM-UHFFFAOYSA-N
XLogP0.32
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide
CID 43345879
3-amino-N-ethyl-4-hydroxybenzenesulfonamide;hydrochloride
CID 53432788
3-amino-4-hydroxy-N-(3-propoxypropyl)benzenesulfonamide
CID 82941344
3-amino-4-hydroxy-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106333265
3-amino-4-hydroxy-N-pentylbenzenesulfonamide
CID 29051411
3-amino-4-hydroxy-N-(4-hydroxybutyl)benzenesulfonamide
CID 106840203
3-amino-4-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 61237820
3-amino-4-ethyl-N-(3-methoxypropyl)benzenesulfonamide
CID 43258870
3-amino-4-bromo-N-(3-methoxypropyl)benzenesulfonamide
CID 113288285
3-amino-N-(2,3-dimethylbutyl)-4-hydroxybenzenesulfonamide
CID 64568806
4-(aminomethyl)-N-(2-methoxyethyl)-3-methylbenzenesulfonamide
CID 106919075
4-amino-3-methoxy-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide
CID 81437876

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-hydroxy-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of 3-amino-4-hydroxy-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride (CID 53405187) is 3-amino-4-hydroxy-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-amino-4-hydroxy-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 3-amino-4-hydroxy-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride is COCCNS(=O)(=O)c1ccc(O)c(N)c1.Cl.
What is the InChIKey of 3-amino-4-hydroxy-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride?
The InChIKey is UDYXDRMCLHMSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4S.ClH/c1-15-5-4-11-16(13,14)7-2-3-9(12)8(10)6-7;/h2-3,6,11-12H,4-5,10H2,1H3;1H.
What are the key properties of 3-amino-4-hydroxy-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride?
3-amino-4-hydroxy-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride has a molecular weight of 282.75 g/mol, XLogP of 0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-hydroxy-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 53405187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).