2-(2-amino-5-methoxyphenyl)sulfonylacetamide

C9H12N2O4S — CID 81207136

IUPAC2-(2-amino-5-methoxyphenyl)sulfonylacetamide
SMILESCOc1ccc(N)c(S(=O)(=O)CC(N)=O)c1
InChIInChI=1S/C9H12N2O4S/c1-15-6-2-3-7(10)8(4-6)16(13,14)5-9(11)12/h2-4H,5,10H2,1H3,(H2,11,12)
InChIKeyWGYQMTBXSZOKCC-UHFFFAOYSA-N
MW244.27 g/mol
LogP-0.46
Rot. Bonds4

About 2-(2-amino-5-methoxyphenyl)sulfonylacetamide

2-(2-amino-5-methoxyphenyl)sulfonylacetamide (PubChem CID 81207136) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is 2-(2-amino-5-methoxyphenyl)sulfonylacetamide.

Molecular Properties

Compound Name2-(2-amino-5-methoxyphenyl)sulfonylacetamide
PubChem CID81207136
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Name2-(2-amino-5-methoxyphenyl)sulfonylacetamide
SMILESCOc1ccc(N)c(S(=O)(=O)CC(N)=O)c1
InChIInChI=1S/C9H12N2O4S/c1-15-6-2-3-7(10)8(4-6)16(13,14)5-9(11)12/h2-4H,5,10H2,1H3,(H2,11,12)
InChIKeyWGYQMTBXSZOKCC-UHFFFAOYSA-N
XLogP-0.46
TPSA112.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 5-0.46
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

2-(2-amino-5-ethoxyphenyl)sulfonylacetamide
CID 81176156
4-methoxy-2-(methoxymethylsulfonyl)aniline
CID 81207309
lithium 2-amino-5-methoxybenzenesulfonate
CID 101304006
2-(2-amino-5-fluorophenyl)sulfonylacetamide
CID 81182832
4-methoxy-2-(3-methylsulfonylpropylsulfonyl)aniline
CID 81207138
4-[(2-amino-5-methoxyphenyl)sulfonylmethyl]phenol
CID 81206980
4-methoxy-2-(3,3,3-trifluoropropylsulfonyl)aniline
CID 81206904
2-(2-ethylsulfanylethylsulfonyl)-4-methoxyaniline
CID 113474819
2-butan-2-ylsulfonyl-4-methoxyaniline
CID 81207556
2,4-dimethoxyaniline;sulfuric acid
CID 160678823
2-[(2,4-dichlorophenyl)methylsulfonyl]-4-methoxyaniline
CID 81201299
2-(2-amino-5-ethoxyphenyl)sulfonyl-N-ethylacetamide
CID 81175054

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-methoxyphenyl)sulfonylacetamide?
The IUPAC name of 2-(2-amino-5-methoxyphenyl)sulfonylacetamide (CID 81207136) is 2-(2-amino-5-methoxyphenyl)sulfonylacetamide.
What is the SMILES notation for 2-(2-amino-5-methoxyphenyl)sulfonylacetamide?
The canonical SMILES for 2-(2-amino-5-methoxyphenyl)sulfonylacetamide is COc1ccc(N)c(S(=O)(=O)CC(N)=O)c1.
What is the InChIKey of 2-(2-amino-5-methoxyphenyl)sulfonylacetamide?
The InChIKey is WGYQMTBXSZOKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S/c1-15-6-2-3-7(10)8(4-6)16(13,14)5-9(11)12/h2-4H,5,10H2,1H3,(H2,11,12).
What are the key properties of 2-(2-amino-5-methoxyphenyl)sulfonylacetamide?
2-(2-amino-5-methoxyphenyl)sulfonylacetamide has a molecular weight of 244.27 g/mol, XLogP of -0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-methoxyphenyl)sulfonylacetamide is sourced from PubChem (CID 81207136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).