methyl 4-[(3-methoxyphenyl)sulfamoyl]butanoate

C12H17NO5S — CID 61457533

IUPACmethyl 4-[(3-methoxyphenyl)sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)Nc1cccc(OC)c1
InChIInChI=1S/C12H17NO5S/c1-17-11-6-3-5-10(9-11)13-19(15,16)8-4-7-12(14)18-2/h3,5-6,9,13H,4,7-8H2,1-2H3
InChIKeyCKTJMHVQNVWBCB-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.39
Rot. Bonds7

About methyl 4-[(3-methoxyphenyl)sulfamoyl]butanoate

methyl 4-[(3-methoxyphenyl)sulfamoyl]butanoate (PubChem CID 61457533) has the molecular formula C12H17NO5S and a molecular weight of 287.34 g/mol. Its IUPAC name is methyl 4-[(3-methoxyphenyl)sulfamoyl]butanoate.

Molecular Properties

Compound Namemethyl 4-[(3-methoxyphenyl)sulfamoyl]butanoate
PubChem CID61457533
Molecular FormulaC12H17NO5S
Molecular Weight287.34 g/mol
Exact Mass287.08
IUPAC Namemethyl 4-[(3-methoxyphenyl)sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)Nc1cccc(OC)c1
InChIInChI=1S/C12H17NO5S/c1-17-11-6-3-5-10(9-11)13-19(15,16)8-4-7-12(14)18-2/h3,5-6,9,13H,4,7-8H2,1-2H3
InChIKeyCKTJMHVQNVWBCB-UHFFFAOYSA-N
XLogP1.39
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[3-(difluoromethoxy)phenyl]sulfamoyl]butanoate
CID 61460208
methyl 4-[(3-sulfamoylphenyl)sulfamoyl]butanoate
CID 61457458
methyl 4-[(3-formylphenyl)sulfamoyl]butanoate
CID 106913005
2-hydroxy-N-(3-methoxyphenyl)ethanesulfonamide
CID 79026619
N-(3-methoxyphenyl)nonane-1-sulfonamide
CID 43833954
methyl 4-[[3-(trifluoromethyl)phenyl]sulfamoyl]butanoate
CID 61460357
methyl 4-[[3-(3-hydroxyprop-1-ynyl)phenyl]sulfamoyl]butanoate
CID 61457345
methyl 4-[(2-hydroxy-6-methoxyphenyl)sulfamoyl]butanoate
CID 114764729
methyl 4-[(2,6-difluorophenyl)sulfamoyl]butanoate
CID 61460236
methyl 3-[(3-sulfamoylphenyl)sulfamoyl]propanoate
CID 60675335
methyl 4-[(3-carbamoyl-4-chlorophenyl)sulfamoyl]butanoate
CID 61460334
methyl 4-(1,3-benzodioxol-5-ylsulfamoyl)butanoate
CID 61460557

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-methoxyphenyl)sulfamoyl]butanoate?
The IUPAC name of methyl 4-[(3-methoxyphenyl)sulfamoyl]butanoate (CID 61457533) is methyl 4-[(3-methoxyphenyl)sulfamoyl]butanoate.
What is the SMILES notation for methyl 4-[(3-methoxyphenyl)sulfamoyl]butanoate?
The canonical SMILES for methyl 4-[(3-methoxyphenyl)sulfamoyl]butanoate is COC(=O)CCCS(=O)(=O)Nc1cccc(OC)c1.
What is the InChIKey of methyl 4-[(3-methoxyphenyl)sulfamoyl]butanoate?
The InChIKey is CKTJMHVQNVWBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5S/c1-17-11-6-3-5-10(9-11)13-19(15,16)8-4-7-12(14)18-2/h3,5-6,9,13H,4,7-8H2,1-2H3.
What are the key properties of methyl 4-[(3-methoxyphenyl)sulfamoyl]butanoate?
methyl 4-[(3-methoxyphenyl)sulfamoyl]butanoate has a molecular weight of 287.34 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3-methoxyphenyl)sulfamoyl]butanoate is sourced from PubChem (CID 61457533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).