methyl 2-[(4-amino-2-methylphenyl)sulfonylamino]acetate

C10H14N2O4S — CID 43257168

IUPACmethyl 2-[(4-amino-2-methylphenyl)sulfonylamino]acetate
SMILESCOC(=O)CNS(=O)(=O)c1ccc(N)cc1C
InChIInChI=1S/C10H14N2O4S/c1-7-5-8(11)3-4-9(7)17(14,15)12-6-10(13)16-2/h3-5,12H,6,11H2,1-2H3
InChIKeyMKGVFTHBTNDONZ-UHFFFAOYSA-N
MW258.30 g/mol
LogP0.03
Rot. Bonds4

About methyl 2-[(4-amino-2-methylphenyl)sulfonylamino]acetate

methyl 2-[(4-amino-2-methylphenyl)sulfonylamino]acetate (PubChem CID 43257168) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is methyl 2-[(4-amino-2-methylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-amino-2-methylphenyl)sulfonylamino]acetate
PubChem CID43257168
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Namemethyl 2-[(4-amino-2-methylphenyl)sulfonylamino]acetate
SMILESCOC(=O)CNS(=O)(=O)c1ccc(N)cc1C
InChIInChI=1S/C10H14N2O4S/c1-7-5-8(11)3-4-9(7)17(14,15)12-6-10(13)16-2/h3-5,12H,6,11H2,1-2H3
InChIKeyMKGVFTHBTNDONZ-UHFFFAOYSA-N
XLogP0.03
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(4-amino-2-methylphenyl)sulfonylamino]ethoxy]acetamide
CID 106233837
4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylbenzenesulfonamide
CID 107229581
2-[(4-amino-2-methoxyphenyl)sulfonylamino]-N,N-dimethylacetamide
CID 43310749
methyl 3-[(4-amino-2-methoxyphenyl)sulfonylamino]propanoate
CID 43665942
4-amino-2-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 113479654
ethyl 2-[(2-amino-4-chlorophenyl)sulfonylamino]acetate
CID 60812241
methyl 2-[(4-amino-2,6-dichlorophenyl)sulfonylamino]acetate
CID 43257166
4-amino-N-(4-hydroxybutan-2-yl)-2-methylbenzenesulfonamide
CID 83177341
(2-methoxyphenyl) 2-[(2,4-dimethylphenyl)sulfonylamino]acetate
CID 110670998
4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide
CID 106140315
4-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide
CID 65102885
4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylbenzenesulfonamide
CID 107212459

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-amino-2-methylphenyl)sulfonylamino]acetate?
The IUPAC name of methyl 2-[(4-amino-2-methylphenyl)sulfonylamino]acetate (CID 43257168) is methyl 2-[(4-amino-2-methylphenyl)sulfonylamino]acetate.
What is the SMILES notation for methyl 2-[(4-amino-2-methylphenyl)sulfonylamino]acetate?
The canonical SMILES for methyl 2-[(4-amino-2-methylphenyl)sulfonylamino]acetate is COC(=O)CNS(=O)(=O)c1ccc(N)cc1C.
What is the InChIKey of methyl 2-[(4-amino-2-methylphenyl)sulfonylamino]acetate?
The InChIKey is MKGVFTHBTNDONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-7-5-8(11)3-4-9(7)17(14,15)12-6-10(13)16-2/h3-5,12H,6,11H2,1-2H3.
What are the key properties of methyl 2-[(4-amino-2-methylphenyl)sulfonylamino]acetate?
methyl 2-[(4-amino-2-methylphenyl)sulfonylamino]acetate has a molecular weight of 258.30 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-amino-2-methylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 43257168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).