N-(5-amino-2-hydroxyphenyl)-4-methylbenzenesulfonamide

C13H14N2O3S — CID 154116632

IUPACN-(5-amino-2-hydroxyphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(N)ccc2O)cc1
InChIInChI=1S/C13H14N2O3S/c1-9-2-5-11(6-3-9)19(17,18)15-12-8-10(14)4-7-13(12)16/h2-8,15-16H,14H2,1H3
InChIKeyHUYOCZWQKTWESS-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.08
Rot. Bonds3

About N-(5-amino-2-hydroxyphenyl)-4-methylbenzenesulfonamide

N-(5-amino-2-hydroxyphenyl)-4-methylbenzenesulfonamide (PubChem CID 154116632) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is N-(5-amino-2-hydroxyphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-amino-2-hydroxyphenyl)-4-methylbenzenesulfonamide
PubChem CID154116632
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC NameN-(5-amino-2-hydroxyphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(N)ccc2O)cc1
InChIInChI=1S/C13H14N2O3S/c1-9-2-5-11(6-3-9)19(17,18)15-12-8-10(14)4-7-13(12)16/h2-8,15-16H,14H2,1H3
InChIKeyHUYOCZWQKTWESS-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'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-3-[(4-methylphenyl)sulfonylamino]benzenesulfonamide
CID 169373397
N-(2-hydroxy-5-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 60918497
N-[(5-amino-2-hydroxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 43550358
N-[3-hydroxy-2-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
CID 70133555
4-amino-N-(2-fluoro-5-methylphenyl)benzenesulfonamide
CID 28968050
N-(4-amino-2,5-dichlorophenyl)-4-methylbenzenesulfonamide
CID 3637630
4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 1241617
4-methyl-N-(2,4,5-trimethylphenyl)benzenesulfonamide
CID 59317382
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
N-(4-amino-2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide
CID 100828237
4-amino-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 107699512
N-(4-amino-2-methylphenyl)-4-fluorobenzenesulfonamide
CID 16774316

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-hydroxyphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(5-amino-2-hydroxyphenyl)-4-methylbenzenesulfonamide (CID 154116632) is N-(5-amino-2-hydroxyphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-amino-2-hydroxyphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(5-amino-2-hydroxyphenyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(N)ccc2O)cc1.
What is the InChIKey of N-(5-amino-2-hydroxyphenyl)-4-methylbenzenesulfonamide?
The InChIKey is HUYOCZWQKTWESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-9-2-5-11(6-3-9)19(17,18)15-12-8-10(14)4-7-13(12)16/h2-8,15-16H,14H2,1H3.
What are the key properties of N-(5-amino-2-hydroxyphenyl)-4-methylbenzenesulfonamide?
N-(5-amino-2-hydroxyphenyl)-4-methylbenzenesulfonamide 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 N-(5-amino-2-hydroxyphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 154116632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).