methyl 3-[(2-bromophenyl)sulfamoyl]propanoate

C10H12BrNO4S — CID 60675405

IUPACmethyl 3-[(2-bromophenyl)sulfamoyl]propanoate
SMILESCOC(=O)CCS(=O)(=O)Nc1ccccc1Br
InChIInChI=1S/C10H12BrNO4S/c1-16-10(13)6-7-17(14,15)12-9-5-3-2-4-8(9)11/h2-5,12H,6-7H2,1H3
InChIKeyMNRCGSQFTZFTJT-UHFFFAOYSA-N
MW322.18 g/mol
LogP1.75
Rot. Bonds5

About methyl 3-[(2-bromophenyl)sulfamoyl]propanoate

methyl 3-[(2-bromophenyl)sulfamoyl]propanoate (PubChem CID 60675405) has the molecular formula C10H12BrNO4S and a molecular weight of 322.18 g/mol. Its IUPAC name is methyl 3-[(2-bromophenyl)sulfamoyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2-bromophenyl)sulfamoyl]propanoate
PubChem CID60675405
Molecular FormulaC10H12BrNO4S
Molecular Weight322.18 g/mol
Exact Mass320.97
IUPAC Namemethyl 3-[(2-bromophenyl)sulfamoyl]propanoate
SMILESCOC(=O)CCS(=O)(=O)Nc1ccccc1Br
InChIInChI=1S/C10H12BrNO4S/c1-16-10(13)6-7-17(14,15)12-9-5-3-2-4-8(9)11/h2-5,12H,6-7H2,1H3
InChIKeyMNRCGSQFTZFTJT-UHFFFAOYSA-N
XLogP1.75
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(2-aminophenyl)sulfamoyl]propanoate
CID 54952280
methyl 3-[(2-bromo-4-methylphenyl)sulfamoyl]propanoate
CID 60675493
methyl 3-[(5-bromo-2-methylphenyl)sulfamoyl]propanoate
CID 61061576
2-[(2-bromophenyl)sulfamoyl]acetic acid
CID 28773666
methyl 4-[(2-methylsulfanylphenyl)sulfamoyl]butanoate
CID 61460153
methyl 3-[(4-fluoro-2-hydroxyphenyl)sulfamoyl]propanoate
CID 63675600
methyl 3-[(4-amino-2,5-dimethylphenyl)sulfamoyl]propanoate
CID 103144701
3-[(2-bromo-5-methylphenyl)sulfamoyl]propanoic acid
CID 82760976
methyl 3-[(3-sulfamoylphenyl)sulfamoyl]propanoate
CID 60675335
methyl 4-[(2-bromophenyl)methylsulfamoyl]butanoate
CID 61457372
methyl 3-[(5-amino-2-chlorophenyl)sulfamoyl]propanoate
CID 54952491
methyl 4-[(3-methoxy-3-oxopropyl)sulfonylamino]benzoate
CID 60675409

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-bromophenyl)sulfamoyl]propanoate?
The IUPAC name of methyl 3-[(2-bromophenyl)sulfamoyl]propanoate (CID 60675405) is methyl 3-[(2-bromophenyl)sulfamoyl]propanoate.
What is the SMILES notation for methyl 3-[(2-bromophenyl)sulfamoyl]propanoate?
The canonical SMILES for methyl 3-[(2-bromophenyl)sulfamoyl]propanoate is COC(=O)CCS(=O)(=O)Nc1ccccc1Br.
What is the InChIKey of methyl 3-[(2-bromophenyl)sulfamoyl]propanoate?
The InChIKey is MNRCGSQFTZFTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO4S/c1-16-10(13)6-7-17(14,15)12-9-5-3-2-4-8(9)11/h2-5,12H,6-7H2,1H3.
What are the key properties of methyl 3-[(2-bromophenyl)sulfamoyl]propanoate?
methyl 3-[(2-bromophenyl)sulfamoyl]propanoate has a molecular weight of 322.18 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-bromophenyl)sulfamoyl]propanoate is sourced from PubChem (CID 60675405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).