2-amino-4-(2,3,6-trimethylphenoxy)benzenesulfonamide

C15H18N2O3S — CID 79467348

IUPAC2-amino-4-(2,3,6-trimethylphenoxy)benzenesulfonamide
SMILESCc1ccc(C)c(Oc2ccc(S(N)(=O)=O)c(N)c2)c1C
InChIInChI=1S/C15H18N2O3S/c1-9-4-5-10(2)15(11(9)3)20-12-6-7-14(13(16)8-12)21(17,18)19/h4-8H,16H2,1-3H3,(H2,17,18,19)
InChIKeyOFTBQEAUKBYTHL-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.63
Rot. Bonds3

About 2-amino-4-(2,3,6-trimethylphenoxy)benzenesulfonamide

2-amino-4-(2,3,6-trimethylphenoxy)benzenesulfonamide (PubChem CID 79467348) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-amino-4-(2,3,6-trimethylphenoxy)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-(2,3,6-trimethylphenoxy)benzenesulfonamide
PubChem CID79467348
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name2-amino-4-(2,3,6-trimethylphenoxy)benzenesulfonamide
SMILESCc1ccc(C)c(Oc2ccc(S(N)(=O)=O)c(N)c2)c1C
InChIInChI=1S/C15H18N2O3S/c1-9-4-5-10(2)15(11(9)3)20-12-6-7-14(13(16)8-12)21(17,18)19/h4-8H,16H2,1-3H3,(H2,17,18,19)
InChIKeyOFTBQEAUKBYTHL-UHFFFAOYSA-N
XLogP2.63
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.63
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-dimethylphenoxy)benzenesulfonamide
CID 79466920
2-amino-4-(3-methoxyphenoxy)benzenesulfonamide
CID 79467005
2-amino-4-(2-bromo-4-methylphenoxy)benzenesulfonamide
CID 79467353
4-(3,4-dimethylphenoxy)-2-methylbenzenesulfonamide
CID 43436537
2-amino-4-(3-chlorophenoxy)benzenesulfonamide
CID 79467084
methyl 2-amino-5-(2,3,6-trimethylphenoxy)benzoate
CID 63423643
2-amino-4-(2,4-dibromophenoxy)benzenesulfonamide
CID 79462441
2-amino-4-pyridin-3-yloxybenzenesulfonamide
CID 79467523
2-amino-4-(2-methylbutan-2-yloxy)benzenesulfonamide
CID 79467435
2-amino-4-(4-bromo-2-fluorophenoxy)benzenesulfonamide
CID 79467354
2-amino-4-(2-cyanophenoxy)benzenesulfonamide
CID 79467163
1,2,4-trimethyl-3-(3-methylphenoxy)benzene
CID 19792389

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,3,6-trimethylphenoxy)benzenesulfonamide?
The IUPAC name of 2-amino-4-(2,3,6-trimethylphenoxy)benzenesulfonamide (CID 79467348) is 2-amino-4-(2,3,6-trimethylphenoxy)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-(2,3,6-trimethylphenoxy)benzenesulfonamide?
The canonical SMILES for 2-amino-4-(2,3,6-trimethylphenoxy)benzenesulfonamide is Cc1ccc(C)c(Oc2ccc(S(N)(=O)=O)c(N)c2)c1C.
What is the InChIKey of 2-amino-4-(2,3,6-trimethylphenoxy)benzenesulfonamide?
The InChIKey is OFTBQEAUKBYTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-9-4-5-10(2)15(11(9)3)20-12-6-7-14(13(16)8-12)21(17,18)19/h4-8H,16H2,1-3H3,(H2,17,18,19).
What are the key properties of 2-amino-4-(2,3,6-trimethylphenoxy)benzenesulfonamide?
2-amino-4-(2,3,6-trimethylphenoxy)benzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,3,6-trimethylphenoxy)benzenesulfonamide is sourced from PubChem (CID 79467348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).