methyl 4-[(3-carbamoyl-4-chlorophenyl)sulfamoyl]butanoate

C12H15ClN2O5S — CID 61460334

IUPACmethyl 4-[(3-carbamoyl-4-chlorophenyl)sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)Nc1ccc(Cl)c(C(N)=O)c1
InChIInChI=1S/C12H15ClN2O5S/c1-20-11(16)3-2-6-21(18,19)15-8-4-5-10(13)9(7-8)12(14)17/h4-5,7,15H,2-3,6H2,1H3,(H2,14,17)
InChIKeyGLZDZWGWHPZNLL-UHFFFAOYSA-N
MW334.78 g/mol
LogP1.13
Rot. Bonds7

About methyl 4-[(3-carbamoyl-4-chlorophenyl)sulfamoyl]butanoate

methyl 4-[(3-carbamoyl-4-chlorophenyl)sulfamoyl]butanoate (PubChem CID 61460334) has the molecular formula C12H15ClN2O5S and a molecular weight of 334.78 g/mol. Its IUPAC name is methyl 4-[(3-carbamoyl-4-chlorophenyl)sulfamoyl]butanoate.

Molecular Properties

Compound Namemethyl 4-[(3-carbamoyl-4-chlorophenyl)sulfamoyl]butanoate
PubChem CID61460334
Molecular FormulaC12H15ClN2O5S
Molecular Weight334.78 g/mol
Exact Mass334.04
IUPAC Namemethyl 4-[(3-carbamoyl-4-chlorophenyl)sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)Nc1ccc(Cl)c(C(N)=O)c1
InChIInChI=1S/C12H15ClN2O5S/c1-20-11(16)3-2-6-21(18,19)15-8-4-5-10(13)9(7-8)12(14)17/h4-5,7,15H,2-3,6H2,1H3,(H2,14,17)
InChIKeyGLZDZWGWHPZNLL-UHFFFAOYSA-N
XLogP1.13
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(4-carbamoyl-3-chlorophenyl)sulfamoyl]butanoate
CID 61460424
methyl 4-[(4-propan-2-ylphenyl)sulfamoyl]butanoate
CID 61460718
methyl 4-[(3-sulfamoylphenyl)sulfamoyl]butanoate
CID 61457458
methyl 4-[(3-methoxyphenyl)sulfamoyl]butanoate
CID 61457533
methyl 4-(1,3-benzodioxol-5-ylsulfamoyl)butanoate
CID 61460557
methyl 4-[(4-methylsulfanylphenyl)sulfamoyl]butanoate
CID 61460482
methyl 4-[(4-bromo-2,6-dichlorophenyl)sulfamoyl]butanoate
CID 61460321
methyl 4-[(3-formylphenyl)sulfamoyl]butanoate
CID 106913005
methyl 4-[(4-carbamoyl-2-methylphenyl)sulfamoyl]butanoate
CID 61460295
methyl 4-[[3-(trifluoromethyl)phenyl]sulfamoyl]butanoate
CID 61460357
methyl 4-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]butanoate
CID 61460467
methyl 4-[[3-(difluoromethoxy)phenyl]sulfamoyl]butanoate
CID 61460208

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-carbamoyl-4-chlorophenyl)sulfamoyl]butanoate?
The IUPAC name of methyl 4-[(3-carbamoyl-4-chlorophenyl)sulfamoyl]butanoate (CID 61460334) is methyl 4-[(3-carbamoyl-4-chlorophenyl)sulfamoyl]butanoate.
What is the SMILES notation for methyl 4-[(3-carbamoyl-4-chlorophenyl)sulfamoyl]butanoate?
The canonical SMILES for methyl 4-[(3-carbamoyl-4-chlorophenyl)sulfamoyl]butanoate is COC(=O)CCCS(=O)(=O)Nc1ccc(Cl)c(C(N)=O)c1.
What is the InChIKey of methyl 4-[(3-carbamoyl-4-chlorophenyl)sulfamoyl]butanoate?
The InChIKey is GLZDZWGWHPZNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O5S/c1-20-11(16)3-2-6-21(18,19)15-8-4-5-10(13)9(7-8)12(14)17/h4-5,7,15H,2-3,6H2,1H3,(H2,14,17).
What are the key properties of methyl 4-[(3-carbamoyl-4-chlorophenyl)sulfamoyl]butanoate?
methyl 4-[(3-carbamoyl-4-chlorophenyl)sulfamoyl]butanoate has a molecular weight of 334.78 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3-carbamoyl-4-chlorophenyl)sulfamoyl]butanoate is sourced from PubChem (CID 61460334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).