2-(benzenesulfonyl)-2-(methylamino)acetic acid

C9H11NO4S — CID 117037879

IUPAC2-(benzenesulfonyl)-2-(methylamino)acetic acid
SMILESCNC(C(=O)O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C9H11NO4S/c1-10-8(9(11)12)15(13,14)7-5-3-2-4-6-7/h2-6,8,10H,1H3,(H,11,12)
InChIKeyAFHPIUJWCUWTLT-UHFFFAOYSA-N
MW229.26 g/mol
LogP0.09
Rot. Bonds4

About 2-(benzenesulfonyl)-2-(methylamino)acetic acid

2-(benzenesulfonyl)-2-(methylamino)acetic acid (PubChem CID 117037879) has the molecular formula C9H11NO4S and a molecular weight of 229.26 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-2-(methylamino)acetic acid.

Molecular Properties

Compound Name2-(benzenesulfonyl)-2-(methylamino)acetic acid
PubChem CID117037879
Molecular FormulaC9H11NO4S
Molecular Weight229.26 g/mol
Exact Mass229.04
IUPAC Name2-(benzenesulfonyl)-2-(methylamino)acetic acid
SMILESCNC(C(=O)O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C9H11NO4S/c1-10-8(9(11)12)15(13,14)7-5-3-2-4-6-7/h2-6,8,10H,1H3,(H,11,12)
InChIKeyAFHPIUJWCUWTLT-UHFFFAOYSA-N
XLogP0.09
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethylphenyl)sulfonyl-2-(methylamino)acetic acid
CID 117037888
2-(4-methoxyphenyl)sulfonyl-2-(methylamino)acetic acid
CID 117037884
(2S)-2-(benzenesulfonamido)-3-methylbutanoic acid;methane
CID 158887122
2-(5-chlorothiophen-2-yl)sulfonyl-2-(methylamino)acetic acid
CID 117037892
(2R)-2-(benzenesulfonyl)butanoic acid
CID 92981674
(2R)-2-(benzenesulfonamido)-2-phenylacetic acid
CID 2062887
1,2-bis(benzenesulfonyl)ethane-1,2-diol
CID 158874761
(2R)-3-methyl-2-[[4-(4-phenylphenyl)phenyl]sulfonylamino]butanoic acid
CID 71347191
2-(benzenesulfonyl)-2-sulfamoylacetic acid
CID 154414144
(2S)-2-(benzenesulfonamido)-3,3-dimethylbutanoic acid
CID 61142132
[(2S)-1-(benzenesulfonyl)-2,3,3-tris(methylamino)propyl]-trimethylazanium
CID 174621491
benzenesulfonyl(phenyl)methanol
CID 174895803

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-2-(methylamino)acetic acid?
The IUPAC name of 2-(benzenesulfonyl)-2-(methylamino)acetic acid (CID 117037879) is 2-(benzenesulfonyl)-2-(methylamino)acetic acid.
What is the SMILES notation for 2-(benzenesulfonyl)-2-(methylamino)acetic acid?
The canonical SMILES for 2-(benzenesulfonyl)-2-(methylamino)acetic acid is CNC(C(=O)O)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-2-(methylamino)acetic acid?
The InChIKey is AFHPIUJWCUWTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4S/c1-10-8(9(11)12)15(13,14)7-5-3-2-4-6-7/h2-6,8,10H,1H3,(H,11,12).
What are the key properties of 2-(benzenesulfonyl)-2-(methylamino)acetic acid?
2-(benzenesulfonyl)-2-(methylamino)acetic acid has a molecular weight of 229.26 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-2-(methylamino)acetic acid is sourced from PubChem (CID 117037879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).