2-[2-(methylsulfamoyl)-N-prop-2-enylanilino]acetic acid

C12H16N2O4S — CID 79264806

IUPAC2-[2-(methylsulfamoyl)-N-prop-2-enylanilino]acetic acid
SMILESC=CCN(CC(=O)O)c1ccccc1S(=O)(=O)NC
InChIInChI=1S/C12H16N2O4S/c1-3-8-14(9-12(15)16)10-6-4-5-7-11(10)19(17,18)13-2/h3-7,13H,1,8-9H2,2H3,(H,15,16)
InChIKeyTVBJSIWDNQKJJU-UHFFFAOYSA-N
MW284.34 g/mol
LogP0.67
Rot. Bonds7

About 2-[2-(methylsulfamoyl)-N-prop-2-enylanilino]acetic acid

2-[2-(methylsulfamoyl)-N-prop-2-enylanilino]acetic acid (PubChem CID 79264806) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-[2-(methylsulfamoyl)-N-prop-2-enylanilino]acetic acid.

Molecular Properties

Compound Name2-[2-(methylsulfamoyl)-N-prop-2-enylanilino]acetic acid
PubChem CID79264806
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name2-[2-(methylsulfamoyl)-N-prop-2-enylanilino]acetic acid
SMILESC=CCN(CC(=O)O)c1ccccc1S(=O)(=O)NC
InChIInChI=1S/C12H16N2O4S/c1-3-8-14(9-12(15)16)10-6-4-5-7-11(10)19(17,18)13-2/h3-7,13H,1,8-9H2,2H3,(H,15,16)
InChIKeyTVBJSIWDNQKJJU-UHFFFAOYSA-N
XLogP0.67
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethylsulfonyl-N-prop-2-enylanilino)acetic acid
CID 79263866
2-[2-(ethylsulfamoyl)-N-propylanilino]acetic acid
CID 61007878
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-methylbenzenesulfonamide
CID 79389694
2-[N-methyl-2-(methylsulfamoyl)anilino]propanoic acid
CID 62637563
3-(2-fluoro-N-prop-2-enylanilino)propanoic acid
CID 82317541
methyl 2-[2-(methylsulfamoyl)-N-propan-2-ylanilino]acetate
CID 62004595
2-[(2-ethylphenyl)sulfonyl-prop-2-enylamino]acetic acid
CID 146127629
2-[2-[bis(carboxymethyl)amino]-N-(carboxymethyl)anilino]acetic acid;ethane
CID 90830010
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylbenzenesulfonamide
CID 79390626
2-(3-chloro-2-cyano-N-prop-2-enylanilino)acetic acid
CID 79265430
2-[2-(difluoromethylsulfonyl)-N-prop-2-ynylanilino]acetic acid
CID 79273859
2-[2-ethylsulfonyl-N-(2-methylpropyl)anilino]acetic acid
CID 63064144

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylsulfamoyl)-N-prop-2-enylanilino]acetic acid?
The IUPAC name of 2-[2-(methylsulfamoyl)-N-prop-2-enylanilino]acetic acid (CID 79264806) is 2-[2-(methylsulfamoyl)-N-prop-2-enylanilino]acetic acid.
What is the SMILES notation for 2-[2-(methylsulfamoyl)-N-prop-2-enylanilino]acetic acid?
The canonical SMILES for 2-[2-(methylsulfamoyl)-N-prop-2-enylanilino]acetic acid is C=CCN(CC(=O)O)c1ccccc1S(=O)(=O)NC.
What is the InChIKey of 2-[2-(methylsulfamoyl)-N-prop-2-enylanilino]acetic acid?
The InChIKey is TVBJSIWDNQKJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-3-8-14(9-12(15)16)10-6-4-5-7-11(10)19(17,18)13-2/h3-7,13H,1,8-9H2,2H3,(H,15,16).
What are the key properties of 2-[2-(methylsulfamoyl)-N-prop-2-enylanilino]acetic acid?
2-[2-(methylsulfamoyl)-N-prop-2-enylanilino]acetic acid has a molecular weight of 284.34 g/mol, XLogP of 0.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylsulfamoyl)-N-prop-2-enylanilino]acetic acid is sourced from PubChem (CID 79264806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).