2-[benzylsulfonyl(ethyl)amino]acetic acid

C11H15NO4S — CID 54900374

IUPAC2-[benzylsulfonyl(ethyl)amino]acetic acid
SMILESCCN(CC(=O)O)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C11H15NO4S/c1-2-12(8-11(13)14)17(15,16)9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,14)
InChIKeyAPGKWCFTXYKPSU-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.92
Rot. Bonds6

About 2-[benzylsulfonyl(ethyl)amino]acetic acid

2-[benzylsulfonyl(ethyl)amino]acetic acid (PubChem CID 54900374) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-[benzylsulfonyl(ethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[benzylsulfonyl(ethyl)amino]acetic acid
PubChem CID54900374
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name2-[benzylsulfonyl(ethyl)amino]acetic acid
SMILESCCN(CC(=O)O)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C11H15NO4S/c1-2-12(8-11(13)14)17(15,16)9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,14)
InChIKeyAPGKWCFTXYKPSU-UHFFFAOYSA-N
XLogP0.92
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Toluene-4-Sulfonyl)-Thiazolidine-2-Carboxylic Acid
CID 3112776
2-(2-Phenylethenesulfonamido)acetic acid
CID 723005
2-[Prop-2-enyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetic acid
CID 4268030
[(Benzylsulfonyl)amino]acetic acid
CID 227303
2-(2-(4-Methylphenyl)ethenesulfonamido)acetic acid
CID 5916372
[4-methyl-5-(4-methylphenyl)-1,1-dioxido-3-oxoisothiazol-2(3H)-yl]acetic acid
CID 3242875
2-(2-Phenylethenesulfonamido)propanoic acid
CID 5919088
2-(Phenylmethanesulfonamido)propanoic acid
CID 4083565
2-(N-methyl2-phenylethenesulfonamido)acetic acid
CID 2526698
[Carboxymethyl-(2,4,6-trimethyl-benzenesulfonyl)-amino]-acetic acid
CID 3101222
N-benzyl-N-(methylsulfonyl)glycine
CID 300151
2-[2-Benzylsulfanylethyl(carboxymethyl)amino]acetic acid
CID 450198

Frequently Asked Questions

What is the IUPAC name of 2-[benzylsulfonyl(ethyl)amino]acetic acid?
The IUPAC name of 2-[benzylsulfonyl(ethyl)amino]acetic acid (CID 54900374) is 2-[benzylsulfonyl(ethyl)amino]acetic acid.
What is the SMILES notation for 2-[benzylsulfonyl(ethyl)amino]acetic acid?
The canonical SMILES for 2-[benzylsulfonyl(ethyl)amino]acetic acid is CCN(CC(=O)O)S(=O)(=O)Cc1ccccc1.
What is the InChIKey of 2-[benzylsulfonyl(ethyl)amino]acetic acid?
The InChIKey is APGKWCFTXYKPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-2-12(8-11(13)14)17(15,16)9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,14).
What are the key properties of 2-[benzylsulfonyl(ethyl)amino]acetic acid?
2-[benzylsulfonyl(ethyl)amino]acetic acid has a molecular weight of 257.31 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzylsulfonyl(ethyl)amino]acetic acid is sourced from PubChem (CID 54900374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).