methyl 2-[(5-amino-2-chlorophenyl)methyl-methylsulfamoyl]acetate

C11H15ClN2O4S — CID 61456989

IUPACmethyl 2-[(5-amino-2-chlorophenyl)methyl-methylsulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)N(C)Cc1cc(N)ccc1Cl
InChIInChI=1S/C11H15ClN2O4S/c1-14(19(16,17)7-11(15)18-2)6-8-5-9(13)3-4-10(8)12/h3-5H,6-7,13H2,1-2H3
InChIKeyYNLDIYIIYIXGPN-UHFFFAOYSA-N
MW306.77 g/mol
LogP0.86
Rot. Bonds5

About methyl 2-[(5-amino-2-chlorophenyl)methyl-methylsulfamoyl]acetate

methyl 2-[(5-amino-2-chlorophenyl)methyl-methylsulfamoyl]acetate (PubChem CID 61456989) has the molecular formula C11H15ClN2O4S and a molecular weight of 306.77 g/mol. Its IUPAC name is methyl 2-[(5-amino-2-chlorophenyl)methyl-methylsulfamoyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-amino-2-chlorophenyl)methyl-methylsulfamoyl]acetate
PubChem CID61456989
Molecular FormulaC11H15ClN2O4S
Molecular Weight306.77 g/mol
Exact Mass306.04
IUPAC Namemethyl 2-[(5-amino-2-chlorophenyl)methyl-methylsulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)N(C)Cc1cc(N)ccc1Cl
InChIInChI=1S/C11H15ClN2O4S/c1-14(19(16,17)7-11(15)18-2)6-8-5-9(13)3-4-10(8)12/h3-5H,6-7,13H2,1-2H3
InChIKeyYNLDIYIIYIXGPN-UHFFFAOYSA-N
XLogP0.86
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[(5-amino-2-chlorophenyl)methyl]-N-methylcarbamate
CID 43551425
N-[(5-amino-2-chlorophenyl)methyl]-N-methyl-2-propan-2-yloxyethanesulfonamide
CID 79593838
methyl 2-[[4-(4-chlorophenyl)phenyl]methyl-methylsulfamoyl]acetate
CID 18702049
methyl 3-[(5-amino-2-chlorophenyl)sulfonyl-methylamino]propanoate
CID 54997716
methyl 2-[(3-aminophenyl)-methylsulfamoyl]acetate
CID 54951895
N-[(5-amino-2-chlorophenyl)methyl]-3-chloro-N-methylbenzenesulfonamide
CID 43550905
N-[(5-amino-2-chlorophenyl)methyl]-5-chloro-N-methylthiophene-2-sulfonamide
CID 43550900
methyl 2-[methyl-[(4-phenylphenyl)methyl]sulfamoyl]acetate
CID 131721881
methyl 3-[(3-aminophenyl)methyl-methylsulfamoyl]propanoate
CID 61458585
2-[(5-amino-2-chlorophenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide
CID 55157213
N-[(5-amino-2-chlorophenyl)methyl]-N-methyl-1H-pyrazole-5-sulfonamide
CID 102690547
methyl 4-[(5-amino-2-chlorophenyl)methyl-methylamino]pyridine-2-carboxylate
CID 66287522

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-amino-2-chlorophenyl)methyl-methylsulfamoyl]acetate?
The IUPAC name of methyl 2-[(5-amino-2-chlorophenyl)methyl-methylsulfamoyl]acetate (CID 61456989) is methyl 2-[(5-amino-2-chlorophenyl)methyl-methylsulfamoyl]acetate.
What is the SMILES notation for methyl 2-[(5-amino-2-chlorophenyl)methyl-methylsulfamoyl]acetate?
The canonical SMILES for methyl 2-[(5-amino-2-chlorophenyl)methyl-methylsulfamoyl]acetate is COC(=O)CS(=O)(=O)N(C)Cc1cc(N)ccc1Cl.
What is the InChIKey of methyl 2-[(5-amino-2-chlorophenyl)methyl-methylsulfamoyl]acetate?
The InChIKey is YNLDIYIIYIXGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O4S/c1-14(19(16,17)7-11(15)18-2)6-8-5-9(13)3-4-10(8)12/h3-5H,6-7,13H2,1-2H3.
What are the key properties of methyl 2-[(5-amino-2-chlorophenyl)methyl-methylsulfamoyl]acetate?
methyl 2-[(5-amino-2-chlorophenyl)methyl-methylsulfamoyl]acetate has a molecular weight of 306.77 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-amino-2-chlorophenyl)methyl-methylsulfamoyl]acetate is sourced from PubChem (CID 61456989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).