4-amino-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide

C13H14N2O3S — CID 107699512

IUPAC4-amino-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1O
InChIInChI=1S/C13H14N2O3S/c1-9-2-5-11(8-13(9)16)15-19(17,18)12-6-3-10(14)4-7-12/h2-8,15-16H,14H2,1H3
InChIKeyQOMFAZYVPHMZNM-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.08
Rot. Bonds3

About 4-amino-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide

4-amino-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide (PubChem CID 107699512) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 4-amino-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
PubChem CID107699512
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name4-amino-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1O
InChIInChI=1S/C13H14N2O3S/c1-9-2-5-11(8-13(9)16)15-19(17,18)12-6-3-10(14)4-7-12/h2-8,15-16H,14H2,1H3
InChIKeyQOMFAZYVPHMZNM-UHFFFAOYSA-N
XLogP2.08
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-hydroxy-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 107699434
N-(3-hydroxy-4-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 64794059
5-amino-2-ethyl-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 107699520
5-amino-2,3-difluoro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 107699455
N-(3-hydroxy-4-methylphenyl)-3-nitrobenzenesulfonamide
CID 64794397
3-fluoro-N-(3-hydroxy-4-methylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 67557776
5-bromo-N-(3-hydroxy-4-methylphenyl)pyridine-3-sulfonamide
CID 64794054
4-amino-N-[4-(4-aminophenyl)sulfonylphenyl]benzenesulfonamide
CID 13052807
4-amino-N-(3,4-difluorophenyl)benzenesulfonamide
CID 16790684
4-fluoro-N-(3-hydroxy-4-methylphenyl)-2,6-dimethylbenzenesulfonamide
CID 107327721
N-(4-amino-3-hydroxyphenyl)-4-chlorobenzenesulfonamide
CID 174644822
5-amino-N-(4-aminophenyl)-2-methylbenzenesulfonamide
CID 57346246

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide (CID 107699512) is 4-amino-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1O.
What is the InChIKey of 4-amino-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide?
The InChIKey is QOMFAZYVPHMZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-9-2-5-11(8-13(9)16)15-19(17,18)12-6-3-10(14)4-7-12/h2-8,15-16H,14H2,1H3.
What are the key properties of 4-amino-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide?
4-amino-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide has a molecular weight of 278.33 g/mol, XLogP of 2.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 107699512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).