methyl 2-[(4-amino-2,6-dichlorophenyl)sulfonylamino]acetate

C9H10Cl2N2O4S — CID 43257166

IUPACmethyl 2-[(4-amino-2,6-dichlorophenyl)sulfonylamino]acetate
SMILESCOC(=O)CNS(=O)(=O)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C9H10Cl2N2O4S/c1-17-8(14)4-13-18(15,16)9-6(10)2-5(12)3-7(9)11/h2-3,13H,4,12H2,1H3
InChIKeyAHOUMXSQSSTGHP-UHFFFAOYSA-N
MW313.16 g/mol
LogP1.03
Rot. Bonds4

About methyl 2-[(4-amino-2,6-dichlorophenyl)sulfonylamino]acetate

methyl 2-[(4-amino-2,6-dichlorophenyl)sulfonylamino]acetate (PubChem CID 43257166) has the molecular formula C9H10Cl2N2O4S and a molecular weight of 313.16 g/mol. Its IUPAC name is methyl 2-[(4-amino-2,6-dichlorophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-amino-2,6-dichlorophenyl)sulfonylamino]acetate
PubChem CID43257166
Molecular FormulaC9H10Cl2N2O4S
Molecular Weight313.16 g/mol
Exact Mass311.97
IUPAC Namemethyl 2-[(4-amino-2,6-dichlorophenyl)sulfonylamino]acetate
SMILESCOC(=O)CNS(=O)(=O)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C9H10Cl2N2O4S/c1-17-8(14)4-13-18(15,16)9-6(10)2-5(12)3-7(9)11/h2-3,13H,4,12H2,1H3
InChIKeyAHOUMXSQSSTGHP-UHFFFAOYSA-N
XLogP1.03
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 51.03
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

methyl 2-[(2,4,6-trichlorophenyl)sulfonylamino]acetate
CID 43624222
methyl 2-[(3,5-dichlorophenyl)sulfonylamino]acetate
CID 43404992
4-amino-2,6-dichloro-N-(2-ethoxy-2-methylpropyl)benzenesulfonamide
CID 114940424
3-[(4-amino-2,6-dichlorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 61126649
4-amino-2,6-dichloro-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 63981794
4-amino-2,6-dichloro-N-(2-ethoxyethyl)benzenesulfonamide
CID 43590962
methyl 2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]acetate
CID 103077167
4-amino-2,6-dichloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 43257027
methyl 2-[(4-amino-2-methylphenyl)sulfonylamino]acetate
CID 43257168
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]acetate
CID 24670687
4-amino-2,6-dichloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzenesulfonamide
CID 114755685
methyl 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]acetate
CID 64624792

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-amino-2,6-dichlorophenyl)sulfonylamino]acetate?
The IUPAC name of methyl 2-[(4-amino-2,6-dichlorophenyl)sulfonylamino]acetate (CID 43257166) is methyl 2-[(4-amino-2,6-dichlorophenyl)sulfonylamino]acetate.
What is the SMILES notation for methyl 2-[(4-amino-2,6-dichlorophenyl)sulfonylamino]acetate?
The canonical SMILES for methyl 2-[(4-amino-2,6-dichlorophenyl)sulfonylamino]acetate is COC(=O)CNS(=O)(=O)c1c(Cl)cc(N)cc1Cl.
What is the InChIKey of methyl 2-[(4-amino-2,6-dichlorophenyl)sulfonylamino]acetate?
The InChIKey is AHOUMXSQSSTGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O4S/c1-17-8(14)4-13-18(15,16)9-6(10)2-5(12)3-7(9)11/h2-3,13H,4,12H2,1H3.
What are the key properties of methyl 2-[(4-amino-2,6-dichlorophenyl)sulfonylamino]acetate?
methyl 2-[(4-amino-2,6-dichlorophenyl)sulfonylamino]acetate has a molecular weight of 313.16 g/mol, XLogP of 1.03, 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-2,6-dichlorophenyl)sulfonylamino]acetate is sourced from PubChem (CID 43257166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).