N-[(E)-2-(3-methylsulfonylphenyl)ethenyl]sulfonylacetamide

C11H13NO5S2 — CID 21406576

IUPACN-[(E)-2-(3-methylsulfonylphenyl)ethenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)/C=C/c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C11H13NO5S2/c1-9(13)12-19(16,17)7-6-10-4-3-5-11(8-10)18(2,14)15/h3-8H,1-2H3,(H,12,13)/b7-6+
InChIKeyAHWUSBJZARVYFY-VOTSOKGWSA-N
MW303.36 g/mol
LogP0.53
Rot. Bonds4

About N-[(E)-2-(3-methylsulfonylphenyl)ethenyl]sulfonylacetamide

N-[(E)-2-(3-methylsulfonylphenyl)ethenyl]sulfonylacetamide (PubChem CID 21406576) has the molecular formula C11H13NO5S2 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[(E)-2-(3-methylsulfonylphenyl)ethenyl]sulfonylacetamide.

Molecular Properties

Compound NameN-[(E)-2-(3-methylsulfonylphenyl)ethenyl]sulfonylacetamide
PubChem CID21406576
Molecular FormulaC11H13NO5S2
Molecular Weight303.36 g/mol
Exact Mass303.02
IUPAC NameN-[(E)-2-(3-methylsulfonylphenyl)ethenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)/C=C/c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C11H13NO5S2/c1-9(13)12-19(16,17)7-6-10-4-3-5-11(8-10)18(2,14)15/h3-8H,1-2H3,(H,12,13)/b7-6+
InChIKeyAHWUSBJZARVYFY-VOTSOKGWSA-N
XLogP0.53
TPSA97.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(E)-2-(3-methylsulfonylphenyl)ethenyl]sulfonylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(3-methylsulfonylphenyl)prop-2-enyl]acetamide
CID 169465681
4-(3-methylsulfonylphenyl)but-3-enal
CID 170482085
3-(3-methylsulfonylphenyl)prop-2-ene-1-thiol
CID 169455384
4-(3-methylsulfonylphenyl)but-3-ene-1-thiol
CID 170478553
methyl N-[(E)-2-phenylethenyl]sulfonylcarbamate
CID 139258056
2,2-dimethyl-3-oxo-3-[[(E)-2-phenylethenyl]sulfonylamino]propanoic acid
CID 68504147
ethyl (E)-2-methyl-3-(3-methylsulfonylphenyl)prop-2-enoate
CID 139784414
[(E)-2-phenylethenyl]sulfonylurea
CID 22750927
1,1-diphenyl-3-[(E)-2-(3-propan-2-yloxyphenyl)ethenyl]sulfonylurea
CID 22751109
3-[(E)-3-methoxy-3-oxoprop-1-enyl]benzenesulfonate
CID 59145590
2-[2-(3-chlorophenyl)ethenylsulfonylcarbamoylamino]acetic acid
CID 54448013
N-[(3-methylsulfonylphenyl)-phenylmethyl]acetamide
CID 166180691

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(3-methylsulfonylphenyl)ethenyl]sulfonylacetamide?
The IUPAC name of N-[(E)-2-(3-methylsulfonylphenyl)ethenyl]sulfonylacetamide (CID 21406576) is N-[(E)-2-(3-methylsulfonylphenyl)ethenyl]sulfonylacetamide.
What is the SMILES notation for N-[(E)-2-(3-methylsulfonylphenyl)ethenyl]sulfonylacetamide?
The canonical SMILES for N-[(E)-2-(3-methylsulfonylphenyl)ethenyl]sulfonylacetamide is CC(=O)NS(=O)(=O)/C=C/c1cccc(S(C)(=O)=O)c1.
What is the InChIKey of N-[(E)-2-(3-methylsulfonylphenyl)ethenyl]sulfonylacetamide?
The InChIKey is AHWUSBJZARVYFY-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H13NO5S2/c1-9(13)12-19(16,17)7-6-10-4-3-5-11(8-10)18(2,14)15/h3-8H,1-2H3,(H,12,13)/b7-6+.
What are the key properties of N-[(E)-2-(3-methylsulfonylphenyl)ethenyl]sulfonylacetamide?
N-[(E)-2-(3-methylsulfonylphenyl)ethenyl]sulfonylacetamide has a molecular weight of 303.36 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(3-methylsulfonylphenyl)ethenyl]sulfonylacetamide is sourced from PubChem (CID 21406576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).