N-(2-amino-4-methylphenyl)-4-methoxybenzenesulfonamide

C14H16N2O3S — CID 43259140

IUPACN-(2-amino-4-methylphenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(C)cc2N)cc1
InChIInChI=1S/C14H16N2O3S/c1-10-3-8-14(13(15)9-10)16-20(17,18)12-6-4-11(19-2)5-7-12/h3-9,16H,15H2,1-2H3
InChIKeyOSPAUTYBNVQGIB-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.39
Rot. Bonds4

About N-(2-amino-4-methylphenyl)-4-methoxybenzenesulfonamide

N-(2-amino-4-methylphenyl)-4-methoxybenzenesulfonamide (PubChem CID 43259140) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-(2-amino-4-methylphenyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-4-methylphenyl)-4-methoxybenzenesulfonamide
PubChem CID43259140
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC NameN-(2-amino-4-methylphenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(C)cc2N)cc1
InChIInChI=1S/C14H16N2O3S/c1-10-3-8-14(13(15)9-10)16-20(17,18)12-6-4-11(19-2)5-7-12/h3-9,16H,15H2,1-2H3
InChIKeyOSPAUTYBNVQGIB-UHFFFAOYSA-N
XLogP2.39
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-amino-4-(4-methoxyphenoxy)phenyl]-4-methylbenzenesulfonamide
CID 11696675
N-(2-amino-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 43259163
N-(5-methoxy-2-methylphenyl)-4-methylbenzenesulfonamide
CID 5146130
4-methoxy-N-(5-methoxy-2-methylphenyl)benzenesulfonamide
CID 4564561
methyl 2-[4-[(2-amino-4-methoxyphenyl)sulfamoyl]phenoxy]acetate
CID 51063876
N-(4-chloro-2-methylphenyl)-4-methoxybenzenesulfonamide
CID 4995778
4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 743974
4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 1241617
3-amino-N-(2-fluoro-4-methylphenyl)-4-methoxybenzenesulfonamide
CID 28890673
4-methoxy-N-(4-methoxy-2-nitrophenyl)benzenesulfonamide
CID 2843218
N-(2-chloro-5-methylsulfonylphenyl)-4-methoxybenzenesulfonamide
CID 2477654
N-(5-fluoro-2-methylphenyl)-4-methoxybenzenesulfonamide
CID 6470178

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methylphenyl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(2-amino-4-methylphenyl)-4-methoxybenzenesulfonamide (CID 43259140) is N-(2-amino-4-methylphenyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(2-amino-4-methylphenyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(2-amino-4-methylphenyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(C)cc2N)cc1.
What is the InChIKey of N-(2-amino-4-methylphenyl)-4-methoxybenzenesulfonamide?
The InChIKey is OSPAUTYBNVQGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-10-3-8-14(13(15)9-10)16-20(17,18)12-6-4-11(19-2)5-7-12/h3-9,16H,15H2,1-2H3.
What are the key properties of N-(2-amino-4-methylphenyl)-4-methoxybenzenesulfonamide?
N-(2-amino-4-methylphenyl)-4-methoxybenzenesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methylphenyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 43259140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).