2-(N-methylsulfonylanilino)acetate

C9H10NO4S- — CID 2063945

IUPAC2-(N-methylsulfonylanilino)acetate
SMILESCS(=O)(=O)N(CC(=O)[O-])c1ccccc1
InChIInChI=1S/C9H11NO4S/c1-15(13,14)10(7-9(11)12)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,11,12)/p-1
InChIKeyGZWOLWYFQBJQDN-UHFFFAOYSA-M
MW228.25 g/mol
LogP-0.80
Rot. Bonds4

About 2-(N-methylsulfonylanilino)acetate

2-(N-methylsulfonylanilino)acetate (PubChem CID 2063945) has the molecular formula C9H10NO4S- and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-(N-methylsulfonylanilino)acetate.

Molecular Properties

Compound Name2-(N-methylsulfonylanilino)acetate
PubChem CID2063945
Molecular FormulaC9H10NO4S-
Molecular Weight228.25 g/mol
Exact Mass228.03
IUPAC Name2-(N-methylsulfonylanilino)acetate
SMILESCS(=O)(=O)N(CC(=O)[O-])c1ccccc1
InChIInChI=1S/C9H11NO4S/c1-15(13,14)10(7-9(11)12)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,11,12)/p-1
InChIKeyGZWOLWYFQBJQDN-UHFFFAOYSA-M
XLogP-0.80
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(N-methylsulfonylanilino)acetate
CID 5001910
N-tert-butyl-2-(N-methylsulfonylanilino)acetamide
CID 51343017
2-[4-(dimethylamino)-N-methylsulfonylanilino]-N-methyl-N-phenylacetamide
CID 113156163
N-[(2S)-3-methylbutan-2-yl]-2-(N-methylsulfonylanilino)acetamide
CID 100563073
4-(N-methylsulfonylanilino)butanoic acid
CID 50889586
N-(2,6-diethylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 113153665
2-(N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 40633950
2-(N-methylsulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 113153696
N-(2-ethylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 846890
N-(4-fluorophenyl)-2-(N-methylsulfonylanilino)acetamide
CID 773985
3-(N-methylsulfonylanilino)-N,N-dipropylpropanamide
CID 113141498
2-[N-(benzenesulfonyl)-4-bromoanilino]acetate
CID 7329873

Frequently Asked Questions

What is the IUPAC name of 2-(N-methylsulfonylanilino)acetate?
The IUPAC name of 2-(N-methylsulfonylanilino)acetate (CID 2063945) is 2-(N-methylsulfonylanilino)acetate.
What is the SMILES notation for 2-(N-methylsulfonylanilino)acetate?
The canonical SMILES for 2-(N-methylsulfonylanilino)acetate is CS(=O)(=O)N(CC(=O)[O-])c1ccccc1.
What is the InChIKey of 2-(N-methylsulfonylanilino)acetate?
The InChIKey is GZWOLWYFQBJQDN-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H11NO4S/c1-15(13,14)10(7-9(11)12)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,11,12)/p-1.
What are the key properties of 2-(N-methylsulfonylanilino)acetate?
2-(N-methylsulfonylanilino)acetate has a molecular weight of 228.25 g/mol, XLogP of -0.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylsulfonylanilino)acetate is sourced from PubChem (CID 2063945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).