methyl 3-[(5-amino-2-chlorophenyl)sulfamoyl]propanoate

C10H13ClN2O4S — CID 54952491

IUPACmethyl 3-[(5-amino-2-chlorophenyl)sulfamoyl]propanoate
SMILESCOC(=O)CCS(=O)(=O)Nc1cc(N)ccc1Cl
InChIInChI=1S/C10H13ClN2O4S/c1-17-10(14)4-5-18(15,16)13-9-6-7(12)2-3-8(9)11/h2-3,6,13H,4-5,12H2,1H3
InChIKeyQQNUEGYYARGHAM-UHFFFAOYSA-N
MW292.74 g/mol
LogP1.23
Rot. Bonds5

About methyl 3-[(5-amino-2-chlorophenyl)sulfamoyl]propanoate

methyl 3-[(5-amino-2-chlorophenyl)sulfamoyl]propanoate (PubChem CID 54952491) has the molecular formula C10H13ClN2O4S and a molecular weight of 292.74 g/mol. Its IUPAC name is methyl 3-[(5-amino-2-chlorophenyl)sulfamoyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[(5-amino-2-chlorophenyl)sulfamoyl]propanoate
PubChem CID54952491
Molecular FormulaC10H13ClN2O4S
Molecular Weight292.74 g/mol
Exact Mass292.03
IUPAC Namemethyl 3-[(5-amino-2-chlorophenyl)sulfamoyl]propanoate
SMILESCOC(=O)CCS(=O)(=O)Nc1cc(N)ccc1Cl
InChIInChI=1S/C10H13ClN2O4S/c1-17-10(14)4-5-18(15,16)13-9-6-7(12)2-3-8(9)11/h2-3,6,13H,4-5,12H2,1H3
InChIKeyQQNUEGYYARGHAM-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-[(5-amino-2-chlorophenyl)sulfamoyl]acetate
CID 54952001
methyl 3-[(2-aminophenyl)sulfamoyl]propanoate
CID 54952280
N-(5-amino-2-chlorophenyl)-2-ethoxyethanesulfonamide
CID 55173525
methyl 3-[(4-amino-2,5-dimethylphenyl)sulfamoyl]propanoate
CID 103144701
methyl 3-[(4-fluoro-2-hydroxyphenyl)sulfamoyl]propanoate
CID 63675600
methyl 3-[(2-bromophenyl)sulfamoyl]propanoate
CID 60675405
methyl 3-[(4-aminophenyl)methylsulfamoyl]propanoate
CID 54952544
methyl 3-[(2-bromo-4-methylphenyl)sulfamoyl]propanoate
CID 60675493
methyl 3-[(5-bromo-2-methylphenyl)sulfamoyl]propanoate
CID 61061576
ethyl 3-[(4-amino-5-chloro-2-methylphenyl)sulfamoyl]propanoate
CID 104667743
methyl 3-[(5-amino-2-chlorophenyl)sulfonyl-methylamino]propanoate
CID 54997716
4-chloro-3-(2-methoxyethylsulfonylamino)benzoic acid
CID 55010075

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-amino-2-chlorophenyl)sulfamoyl]propanoate?
The IUPAC name of methyl 3-[(5-amino-2-chlorophenyl)sulfamoyl]propanoate (CID 54952491) is methyl 3-[(5-amino-2-chlorophenyl)sulfamoyl]propanoate.
What is the SMILES notation for methyl 3-[(5-amino-2-chlorophenyl)sulfamoyl]propanoate?
The canonical SMILES for methyl 3-[(5-amino-2-chlorophenyl)sulfamoyl]propanoate is COC(=O)CCS(=O)(=O)Nc1cc(N)ccc1Cl.
What is the InChIKey of methyl 3-[(5-amino-2-chlorophenyl)sulfamoyl]propanoate?
The InChIKey is QQNUEGYYARGHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O4S/c1-17-10(14)4-5-18(15,16)13-9-6-7(12)2-3-8(9)11/h2-3,6,13H,4-5,12H2,1H3.
What are the key properties of methyl 3-[(5-amino-2-chlorophenyl)sulfamoyl]propanoate?
methyl 3-[(5-amino-2-chlorophenyl)sulfamoyl]propanoate 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 methyl 3-[(5-amino-2-chlorophenyl)sulfamoyl]propanoate is sourced from PubChem (CID 54952491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).