3-amino-4-(3-methylsulfonylphenoxy)benzamide

C14H14N2O4S — CID 43806841

IUPAC3-amino-4-(3-methylsulfonylphenoxy)benzamide
SMILESCS(=O)(=O)c1cccc(Oc2ccc(C(N)=O)cc2N)c1
InChIInChI=1S/C14H14N2O4S/c1-21(18,19)11-4-2-3-10(8-11)20-13-6-5-9(14(16)17)7-12(13)15/h2-8H,15H2,1H3,(H2,16,17)
InChIKeyYXQDGNKHFBJBRJ-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.56
Rot. Bonds4

About 3-amino-4-(3-methylsulfonylphenoxy)benzamide

3-amino-4-(3-methylsulfonylphenoxy)benzamide (PubChem CID 43806841) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 3-amino-4-(3-methylsulfonylphenoxy)benzamide.

Molecular Properties

Compound Name3-amino-4-(3-methylsulfonylphenoxy)benzamide
PubChem CID43806841
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name3-amino-4-(3-methylsulfonylphenoxy)benzamide
SMILESCS(=O)(=O)c1cccc(Oc2ccc(C(N)=O)cc2N)c1
InChIInChI=1S/C14H14N2O4S/c1-21(18,19)11-4-2-3-10(8-11)20-13-6-5-9(14(16)17)7-12(13)15/h2-8H,15H2,1H3,(H2,16,17)
InChIKeyYXQDGNKHFBJBRJ-UHFFFAOYSA-N
XLogP1.56
TPSA112.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-(3-methylsulfonylphenoxy)aniline
CID 43806849
3-amino-4-(4-methylsulfonylphenoxy)benzoic acid
CID 60987365
1-[3-fluoro-4-(3-methylsulfonylphenoxy)phenyl]ethanone
CID 43807076
1-[3-chloro-4-(3-methylsulfonylphenoxy)phenyl]ethanone
CID 62907691
4-methyl-3-(3-methylsulfonylphenoxy)benzoic acid
CID 105405826
4-fluoro-2-(3-methylsulfonylphenoxy)aniline
CID 62375952
2-(3-methylsulfonylphenoxy)benzenecarbothioamide
CID 43806992
5-fluoro-2-(3-methylsulfonylphenoxy)benzenecarbothioamide
CID 63675113
1-[3-amino-4-(3-methoxyphenoxy)phenyl]ethanone
CID 82132319
3-amino-4-(4-ethoxyphenoxy)benzamide
CID 43448507
1-[3-amino-4-(3-chlorophenoxy)phenyl]ethanone
CID 82133162
1-(3-amino-4-phenoxyphenyl)ethanone
CID 82128259

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(3-methylsulfonylphenoxy)benzamide?
The IUPAC name of 3-amino-4-(3-methylsulfonylphenoxy)benzamide (CID 43806841) is 3-amino-4-(3-methylsulfonylphenoxy)benzamide.
What is the SMILES notation for 3-amino-4-(3-methylsulfonylphenoxy)benzamide?
The canonical SMILES for 3-amino-4-(3-methylsulfonylphenoxy)benzamide is CS(=O)(=O)c1cccc(Oc2ccc(C(N)=O)cc2N)c1.
What is the InChIKey of 3-amino-4-(3-methylsulfonylphenoxy)benzamide?
The InChIKey is YXQDGNKHFBJBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-21(18,19)11-4-2-3-10(8-11)20-13-6-5-9(14(16)17)7-12(13)15/h2-8H,15H2,1H3,(H2,16,17).
What are the key properties of 3-amino-4-(3-methylsulfonylphenoxy)benzamide?
3-amino-4-(3-methylsulfonylphenoxy)benzamide has a molecular weight of 306.34 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(3-methylsulfonylphenoxy)benzamide is sourced from PubChem (CID 43806841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).