methyl 4-[(4-acetamidophenyl)sulfonylamino]benzoate

C16H16N2O5S — CID 669173

IUPACmethyl 4-[(4-acetamidophenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C16H16N2O5S/c1-11(19)17-13-7-9-15(10-8-13)24(21,22)18-14-5-3-12(4-6-14)16(20)23-2/h3-10,18H,1-2H3,(H,17,19)
InChIKeyFFCHNXCSDZOMAB-UHFFFAOYSA-N
MW348.38 g/mol
LogP2.23
Rot. Bonds5

About methyl 4-[(4-acetamidophenyl)sulfonylamino]benzoate

methyl 4-[(4-acetamidophenyl)sulfonylamino]benzoate (PubChem CID 669173) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is methyl 4-[(4-acetamidophenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(4-acetamidophenyl)sulfonylamino]benzoate
PubChem CID669173
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC Namemethyl 4-[(4-acetamidophenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C16H16N2O5S/c1-11(19)17-13-7-9-15(10-8-13)24(21,22)18-14-5-3-12(4-6-14)16(20)23-2/h3-10,18H,1-2H3,(H,17,19)
InChIKeyFFCHNXCSDZOMAB-UHFFFAOYSA-N
XLogP2.23
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(4-ethylphenyl)sulfamoyl]benzoate
CID 26487109
methyl 4-[[4-(pyridin-4-ylsulfamoyl)benzoyl]amino]benzoate
CID 39393529
N-[4-[(4-ethylphenyl)sulfamoyl]phenyl]acetamide
CID 798958
N-[4-[[4-(propan-2-ylamino)phenyl]sulfamoyl]phenyl]acetamide
CID 112979916
methyl 4-[(3,5-dichlorophenyl)sulfamoyl]benzoate
CID 24509913
N-[4-[[4-(4-methylanilino)phenyl]sulfamoyl]phenyl]acetamide
CID 112986068
[1-(4-acetylanilino)-1-oxopropan-2-yl] 4-[(4-methoxyphenyl)sulfamoyl]benzoate
CID 42966975
N-[4-[[4-(difluoromethylsulfonyl)phenyl]sulfamoyl]phenyl]acetamide
CID 2454469
methyl (2R)-3-[(4-acetamidophenyl)sulfonylamino]-2-methylpropanoate
CID 96543237
methyl 4-[(2-aminopyrimidin-5-yl)sulfonylamino]benzoate
CID 22582879
propan-2-yl 4-[(4-acetylphenyl)sulfonylamino]benzoate
CID 7938904
N-[4-[[4-(N-methylanilino)phenyl]sulfamoyl]phenyl]acetamide
CID 112986157

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-acetamidophenyl)sulfonylamino]benzoate?
The IUPAC name of methyl 4-[(4-acetamidophenyl)sulfonylamino]benzoate (CID 669173) is methyl 4-[(4-acetamidophenyl)sulfonylamino]benzoate.
What is the SMILES notation for methyl 4-[(4-acetamidophenyl)sulfonylamino]benzoate?
The canonical SMILES for methyl 4-[(4-acetamidophenyl)sulfonylamino]benzoate is COC(=O)c1ccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of methyl 4-[(4-acetamidophenyl)sulfonylamino]benzoate?
The InChIKey is FFCHNXCSDZOMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S/c1-11(19)17-13-7-9-15(10-8-13)24(21,22)18-14-5-3-12(4-6-14)16(20)23-2/h3-10,18H,1-2H3,(H,17,19).
What are the key properties of methyl 4-[(4-acetamidophenyl)sulfonylamino]benzoate?
methyl 4-[(4-acetamidophenyl)sulfonylamino]benzoate has a molecular weight of 348.38 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-acetamidophenyl)sulfonylamino]benzoate is sourced from PubChem (CID 669173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).