ethyl 2-[(5-amino-2-chlorophenyl)sulfamoyl]acetate

C10H13ClN2O4S — CID 54952001

IUPACethyl 2-[(5-amino-2-chlorophenyl)sulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)Nc1cc(N)ccc1Cl
InChIInChI=1S/C10H13ClN2O4S/c1-2-17-10(14)6-18(15,16)13-9-5-7(12)3-4-8(9)11/h3-5,13H,2,6,12H2,1H3
InChIKeyGRRCPFIYJZTIEJ-UHFFFAOYSA-N
MW292.74 g/mol
LogP1.23
Rot. Bonds5

About ethyl 2-[(5-amino-2-chlorophenyl)sulfamoyl]acetate

ethyl 2-[(5-amino-2-chlorophenyl)sulfamoyl]acetate (PubChem CID 54952001) has the molecular formula C10H13ClN2O4S and a molecular weight of 292.74 g/mol. Its IUPAC name is ethyl 2-[(5-amino-2-chlorophenyl)sulfamoyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-amino-2-chlorophenyl)sulfamoyl]acetate
PubChem CID54952001
Molecular FormulaC10H13ClN2O4S
Molecular Weight292.74 g/mol
Exact Mass292.03
IUPAC Nameethyl 2-[(5-amino-2-chlorophenyl)sulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)Nc1cc(N)ccc1Cl
InChIInChI=1S/C10H13ClN2O4S/c1-2-17-10(14)6-18(15,16)13-9-5-7(12)3-4-8(9)11/h3-5,13H,2,6,12H2,1H3
InChIKeyGRRCPFIYJZTIEJ-UHFFFAOYSA-N
XLogP1.23
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 51.23
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

ethyl 2-[(4-amino-2-methoxyphenyl)sulfamoyl]acetate
CID 61456593
methyl 3-[(5-amino-2-chlorophenyl)sulfamoyl]propanoate
CID 54952491
N-(5-amino-2-chlorophenyl)-2-ethoxyethanesulfonamide
CID 55173525
ethyl 2-[(4-amino-2-cyanophenyl)sulfamoyl]acetate
CID 61456595
ethyl 2-[(2-amino-6-chlorophenyl)sulfamoyl]acetate
CID 62084091
ethyl 2-[(2-bromo-4-chlorophenyl)sulfamoyl]acetate
CID 81274474
ethyl 2-[(2-hydroxyphenyl)sulfamoyl]acetate
CID 54952211
ethyl 2-[(3-amino-2-methylphenyl)sulfamoyl]acetate
CID 54952571
4-chloro-2-[(2-ethoxy-2-oxoethyl)sulfonylamino]benzoic acid
CID 61457059
ethyl 2-[[2-amino-4-(trifluoromethyl)phenyl]sulfamoyl]acetate
CID 61457117
ethyl 2-[(5-amino-2,4-difluorophenyl)sulfamoyl]acetate
CID 61456632
ethyl 2-[(4-amino-2,6-dibromophenyl)sulfamoyl]acetate
CID 61457058

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-amino-2-chlorophenyl)sulfamoyl]acetate?
The IUPAC name of ethyl 2-[(5-amino-2-chlorophenyl)sulfamoyl]acetate (CID 54952001) is ethyl 2-[(5-amino-2-chlorophenyl)sulfamoyl]acetate.
What is the SMILES notation for ethyl 2-[(5-amino-2-chlorophenyl)sulfamoyl]acetate?
The canonical SMILES for ethyl 2-[(5-amino-2-chlorophenyl)sulfamoyl]acetate is CCOC(=O)CS(=O)(=O)Nc1cc(N)ccc1Cl.
What is the InChIKey of ethyl 2-[(5-amino-2-chlorophenyl)sulfamoyl]acetate?
The InChIKey is GRRCPFIYJZTIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O4S/c1-2-17-10(14)6-18(15,16)13-9-5-7(12)3-4-8(9)11/h3-5,13H,2,6,12H2,1H3.
What are the key properties of ethyl 2-[(5-amino-2-chlorophenyl)sulfamoyl]acetate?
ethyl 2-[(5-amino-2-chlorophenyl)sulfamoyl]acetate has a molecular weight of 292.74 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-amino-2-chlorophenyl)sulfamoyl]acetate is sourced from PubChem (CID 54952001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).