2-amino-4-(2,3-dimethylphenoxy)benzenesulfonamide

C14H16N2O3S — CID 79466920

IUPAC2-amino-4-(2,3-dimethylphenoxy)benzenesulfonamide
SMILESCc1cccc(Oc2ccc(S(N)(=O)=O)c(N)c2)c1C
InChIInChI=1S/C14H16N2O3S/c1-9-4-3-5-13(10(9)2)19-11-6-7-14(12(15)8-11)20(16,17)18/h3-8H,15H2,1-2H3,(H2,16,17,18)
InChIKeyYUUOWHPEZOSNNC-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.33
Rot. Bonds3

About 2-amino-4-(2,3-dimethylphenoxy)benzenesulfonamide

2-amino-4-(2,3-dimethylphenoxy)benzenesulfonamide (PubChem CID 79466920) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-amino-4-(2,3-dimethylphenoxy)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-(2,3-dimethylphenoxy)benzenesulfonamide
PubChem CID79466920
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name2-amino-4-(2,3-dimethylphenoxy)benzenesulfonamide
SMILESCc1cccc(Oc2ccc(S(N)(=O)=O)c(N)c2)c1C
InChIInChI=1S/C14H16N2O3S/c1-9-4-3-5-13(10(9)2)19-11-6-7-14(12(15)8-11)20(16,17)18/h3-8H,15H2,1-2H3,(H2,16,17,18)
InChIKeyYUUOWHPEZOSNNC-UHFFFAOYSA-N
XLogP2.33
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.33
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

2-amino-4-(2,3,6-trimethylphenoxy)benzenesulfonamide
CID 79467348
2-amino-4-(3-methoxyphenoxy)benzenesulfonamide
CID 79467005
2-amino-4-(2-bromo-4-methylphenoxy)benzenesulfonamide
CID 79467353
2-amino-4-(2-cyanophenoxy)benzenesulfonamide
CID 79467163
4-(2,3-dimethylphenoxy)-2-methoxyaniline
CID 63677998
2-amino-4-(3-chlorophenoxy)benzenesulfonamide
CID 79467084
2-amino-4-(2,4-dibromophenoxy)benzenesulfonamide
CID 79462441
4-(2-methoxyphenoxy)-2-methylbenzenesulfonamide
CID 43436547
2-(2,3-dimethylphenoxy)-3-ethylbenzenesulfonamide
CID 69237538
2-amino-4-pyridin-3-yloxybenzenesulfonamide
CID 79467523
2-amino-4-(4-bromo-2-fluorophenoxy)benzenesulfonamide
CID 79467354
4-[2-[4-(3-bromo-2-methylphenoxy)phenyl]sulfonylphenoxy]benzene-1,2-diamine
CID 20521180

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,3-dimethylphenoxy)benzenesulfonamide?
The IUPAC name of 2-amino-4-(2,3-dimethylphenoxy)benzenesulfonamide (CID 79466920) is 2-amino-4-(2,3-dimethylphenoxy)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-(2,3-dimethylphenoxy)benzenesulfonamide?
The canonical SMILES for 2-amino-4-(2,3-dimethylphenoxy)benzenesulfonamide is Cc1cccc(Oc2ccc(S(N)(=O)=O)c(N)c2)c1C.
What is the InChIKey of 2-amino-4-(2,3-dimethylphenoxy)benzenesulfonamide?
The InChIKey is YUUOWHPEZOSNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-9-4-3-5-13(10(9)2)19-11-6-7-14(12(15)8-11)20(16,17)18/h3-8H,15H2,1-2H3,(H2,16,17,18).
What are the key properties of 2-amino-4-(2,3-dimethylphenoxy)benzenesulfonamide?
2-amino-4-(2,3-dimethylphenoxy)benzenesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,3-dimethylphenoxy)benzenesulfonamide is sourced from PubChem (CID 79466920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).