methyl 4-[(5-bromo-4-methyl-2-pyridinyl)sulfamoyl]butanoate

C11H15BrN2O4S — CID 79734705

IUPACmethyl 4-[(5-bromo-4-methyl-2-pyridinyl)sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)Nc1cc(C)c(Br)cn1
InChIInChI=1S/C11H15BrN2O4S/c1-8-6-10(13-7-9(8)12)14-19(16,17)5-3-4-11(15)18-2/h6-7H,3-5H2,1-2H3,(H,13,14)
InChIKeyPBKVFWWRRUDBKL-UHFFFAOYSA-N
MW351.22 g/mol
LogP1.85
Rot. Bonds6

About methyl 4-[(5-bromo-4-methyl-2-pyridinyl)sulfamoyl]butanoate

methyl 4-[(5-bromo-4-methyl-2-pyridinyl)sulfamoyl]butanoate (PubChem CID 79734705) has the molecular formula C11H15BrN2O4S and a molecular weight of 351.22 g/mol. Its IUPAC name is methyl 4-[(5-bromo-4-methyl-2-pyridinyl)sulfamoyl]butanoate.

Molecular Properties

Compound Namemethyl 4-[(5-bromo-4-methyl-2-pyridinyl)sulfamoyl]butanoate
PubChem CID79734705
Molecular FormulaC11H15BrN2O4S
Molecular Weight351.22 g/mol
Exact Mass349.99
IUPAC Namemethyl 4-[(5-bromo-4-methyl-2-pyridinyl)sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)Nc1cc(C)c(Br)cn1
InChIInChI=1S/C11H15BrN2O4S/c1-8-6-10(13-7-9(8)12)14-19(16,17)5-3-4-11(15)18-2/h6-7H,3-5H2,1-2H3,(H,13,14)
InChIKeyPBKVFWWRRUDBKL-UHFFFAOYSA-N
XLogP1.85
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-bromo-4-methyl-2-pyridinyl)-2-hydroxyethanesulfonamide
CID 79729788
methyl 3-[(5-amino-4-methyl-2-pyridinyl)sulfamoyl]propanoate
CID 54952595
methyl 4-[(2-amino-4-bromo-6-methylphenyl)sulfamoyl]butanoate
CID 61457360
methyl 4-[(3-methyl-2-pyridinyl)sulfamoyl]butanoate
CID 54952273
methyl 4-[(4-bromo-2,6-dichlorophenyl)sulfamoyl]butanoate
CID 61460321
methyl 3-[(5-chloropyrazin-2-yl)sulfamoyl]propanoate
CID 107596045
6-[(4-methoxy-4-oxobutyl)sulfonylamino]pyridine-2-carboxylic acid
CID 63643110
methyl 4-[(2-fluoro-5-methylphenyl)sulfamoyl]butanoate
CID 61460150
methyl 4-(1H-imidazol-2-ylsulfamoyl)butanoate
CID 63564464
methyl 4-[(4-methoxy-6-methylpyrimidin-2-yl)sulfamoyl]butanoate
CID 107605578
methyl 4-[(3-amino-2,4-dimethylphenyl)sulfamoyl]butanoate
CID 61457341
1-[3-(aminomethyl)phenyl]-N-(5-bromo-4-methyl-2-pyridinyl)methanesulfonamide
CID 106070788

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5-bromo-4-methyl-2-pyridinyl)sulfamoyl]butanoate?
The IUPAC name of methyl 4-[(5-bromo-4-methyl-2-pyridinyl)sulfamoyl]butanoate (CID 79734705) is methyl 4-[(5-bromo-4-methyl-2-pyridinyl)sulfamoyl]butanoate.
What is the SMILES notation for methyl 4-[(5-bromo-4-methyl-2-pyridinyl)sulfamoyl]butanoate?
The canonical SMILES for methyl 4-[(5-bromo-4-methyl-2-pyridinyl)sulfamoyl]butanoate is COC(=O)CCCS(=O)(=O)Nc1cc(C)c(Br)cn1.
What is the InChIKey of methyl 4-[(5-bromo-4-methyl-2-pyridinyl)sulfamoyl]butanoate?
The InChIKey is PBKVFWWRRUDBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O4S/c1-8-6-10(13-7-9(8)12)14-19(16,17)5-3-4-11(15)18-2/h6-7H,3-5H2,1-2H3,(H,13,14).
What are the key properties of methyl 4-[(5-bromo-4-methyl-2-pyridinyl)sulfamoyl]butanoate?
methyl 4-[(5-bromo-4-methyl-2-pyridinyl)sulfamoyl]butanoate has a molecular weight of 351.22 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(5-bromo-4-methyl-2-pyridinyl)sulfamoyl]butanoate is sourced from PubChem (CID 79734705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).