3-amino-4-hydroxy-N-(2-methyl-3-pyridinyl)benzenesulfonamide

C12H13N3O3S — CID 79042553

IUPAC3-amino-4-hydroxy-N-(2-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1ncccc1NS(=O)(=O)c1ccc(O)c(N)c1
InChIInChI=1S/C12H13N3O3S/c1-8-11(3-2-6-14-8)15-19(17,18)9-4-5-12(16)10(13)7-9/h2-7,15-16H,13H2,1H3
InChIKeyGWIDHZFIPLRJJC-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.48
Rot. Bonds3

About 3-amino-4-hydroxy-N-(2-methyl-3-pyridinyl)benzenesulfonamide

3-amino-4-hydroxy-N-(2-methyl-3-pyridinyl)benzenesulfonamide (PubChem CID 79042553) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is 3-amino-4-hydroxy-N-(2-methyl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-hydroxy-N-(2-methyl-3-pyridinyl)benzenesulfonamide
PubChem CID79042553
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Name3-amino-4-hydroxy-N-(2-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1ncccc1NS(=O)(=O)c1ccc(O)c(N)c1
InChIInChI=1S/C12H13N3O3S/c1-8-11(3-2-6-14-8)15-19(17,18)9-4-5-12(16)10(13)7-9/h2-7,15-16H,13H2,1H3
InChIKeyGWIDHZFIPLRJJC-UHFFFAOYSA-N
XLogP1.48
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.48
H-Bond Donors ≤ 53
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-5-fluoro-4-methyl-N-(2-methyl-3-pyridinyl)benzenesulfonamide
CID 116791990
3-amino-4-hydroxy-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 29035063
3-amino-N-(2,3-difluorophenyl)-4-hydroxybenzenesulfonamide
CID 61076963
2-methyl-5-[(2-methyl-3-pyridinyl)sulfamoyl]benzoic acid
CID 79042866
2-iodo-5-[(2-methyl-3-pyridinyl)sulfamoyl]benzoic acid
CID 103962591
3-amino-N-(3,5-dimethylphenyl)-4-hydroxybenzenesulfonamide
CID 30053987
3-amino-2,5-dimethyl-N-(2-methyl-3-pyridinyl)benzenesulfonamide
CID 79889757
3-amino-4-hydroxy-N-phenylbenzenesulfonamide;hydrochloride
CID 3018876
4-cyano-N-(2-methyl-3-pyridinyl)benzenesulfonamide
CID 79043385
3-amino-4-hydroxy-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 107699434
3-fluoro-N-(2-methyl-3-pyridinyl)-4-nitrobenzenesulfonamide
CID 82847321
3-amino-N-(4-bromo-2-chlorophenyl)-4-hydroxybenzenesulfonamide
CID 43347164

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-hydroxy-N-(2-methyl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 3-amino-4-hydroxy-N-(2-methyl-3-pyridinyl)benzenesulfonamide (CID 79042553) is 3-amino-4-hydroxy-N-(2-methyl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-hydroxy-N-(2-methyl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-hydroxy-N-(2-methyl-3-pyridinyl)benzenesulfonamide is Cc1ncccc1NS(=O)(=O)c1ccc(O)c(N)c1.
What is the InChIKey of 3-amino-4-hydroxy-N-(2-methyl-3-pyridinyl)benzenesulfonamide?
The InChIKey is GWIDHZFIPLRJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-8-11(3-2-6-14-8)15-19(17,18)9-4-5-12(16)10(13)7-9/h2-7,15-16H,13H2,1H3.
What are the key properties of 3-amino-4-hydroxy-N-(2-methyl-3-pyridinyl)benzenesulfonamide?
3-amino-4-hydroxy-N-(2-methyl-3-pyridinyl)benzenesulfonamide has a molecular weight of 279.32 g/mol, XLogP of 1.48, 3 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-methyl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 79042553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).