3-amino-4-hydroxy-N-phenylbenzenesulfonamide;hydrochloride

C12H13ClN2O3S — CID 3018876

IUPAC3-amino-4-hydroxy-N-phenylbenzenesulfonamide;hydrochloride
SMILESCl.Nc1cc(S(=O)(=O)Nc2ccccc2)ccc1O
InChIInChI=1S/C12H12N2O3S.ClH/c13-11-8-10(6-7-12(11)15)18(16,17)14-9-4-2-1-3-5-9;/h1-8,14-15H,13H2;1H
InChIKeyAVSIGZZPHTUUCM-UHFFFAOYSA-N
MW300.77 g/mol
LogP2.20
Rot. Bonds3

About 3-amino-4-hydroxy-N-phenylbenzenesulfonamide;hydrochloride

3-amino-4-hydroxy-N-phenylbenzenesulfonamide;hydrochloride (PubChem CID 3018876) has the molecular formula C12H13ClN2O3S and a molecular weight of 300.77 g/mol. Its IUPAC name is 3-amino-4-hydroxy-N-phenylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-amino-4-hydroxy-N-phenylbenzenesulfonamide;hydrochloride
PubChem CID3018876
Molecular FormulaC12H13ClN2O3S
Molecular Weight300.77 g/mol
Exact Mass300.03
IUPAC Name3-amino-4-hydroxy-N-phenylbenzenesulfonamide;hydrochloride
SMILESCl.Nc1cc(S(=O)(=O)Nc2ccccc2)ccc1O
InChIInChI=1S/C12H12N2O3S.ClH/c13-11-8-10(6-7-12(11)15)18(16,17)14-9-4-2-1-3-5-9;/h1-8,14-15H,13H2;1H
InChIKeyAVSIGZZPHTUUCM-UHFFFAOYSA-N
XLogP2.20
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.77
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(3,5-dimethylphenyl)-4-hydroxybenzenesulfonamide
CID 30053987
3-amino-4-chloro-N-phenylbenzenesulfonamide
CID 2873180
3-amino-4-hydroxy-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 107699434
3-amino-4-hydroxy-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 29035063
3-amino-N-(3-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 61168279
3-amino-N-(2,3-difluorophenyl)-4-hydroxybenzenesulfonamide
CID 61076963
5-[[4-(benzenesulfonamido)phenyl]sulfamoyl]-2-hydroxybenzamide
CID 130406207
3-amino-N-ethyl-4-hydroxybenzenesulfonamide;hydrochloride
CID 53432788
3-amino-4-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide
CID 61166904
3-amino-N-(4-chloro-3-methoxyphenyl)-4-hydroxybenzenesulfonamide
CID 107620728
3-amino-N-(4-fluoro-3-methoxyphenyl)-4-hydroxybenzenesulfonamide
CID 114837025
5-[[3-(benzenesulfonamido)phenyl]sulfamoyl]-2-hydroxybenzamide
CID 130406327

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-hydroxy-N-phenylbenzenesulfonamide;hydrochloride?
The IUPAC name of 3-amino-4-hydroxy-N-phenylbenzenesulfonamide;hydrochloride (CID 3018876) is 3-amino-4-hydroxy-N-phenylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-amino-4-hydroxy-N-phenylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 3-amino-4-hydroxy-N-phenylbenzenesulfonamide;hydrochloride is Cl.Nc1cc(S(=O)(=O)Nc2ccccc2)ccc1O.
What is the InChIKey of 3-amino-4-hydroxy-N-phenylbenzenesulfonamide;hydrochloride?
The InChIKey is AVSIGZZPHTUUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S.ClH/c13-11-8-10(6-7-12(11)15)18(16,17)14-9-4-2-1-3-5-9;/h1-8,14-15H,13H2;1H.
What are the key properties of 3-amino-4-hydroxy-N-phenylbenzenesulfonamide;hydrochloride?
3-amino-4-hydroxy-N-phenylbenzenesulfonamide;hydrochloride has a molecular weight of 300.77 g/mol, XLogP of 2.20, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-hydroxy-N-phenylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 3018876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).