methyl 4-[[4-(methanesulfonamido)benzoyl]amino]benzoate

C16H16N2O5S — CID 967516

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

About methyl 4-[[4-(methanesulfonamido)benzoyl]amino]benzoate

methyl 4-[[4-(methanesulfonamido)benzoyl]amino]benzoate (PubChem CID 967516) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is methyl 4-[[4-(methanesulfonamido)benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-(methanesulfonamido)benzoyl]amino]benzoate
PubChem CID967516
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC Namemethyl 4-[[4-(methanesulfonamido)benzoyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C16H16N2O5S/c1-23-16(20)12-5-7-13(8-6-12)17-15(19)11-3-9-14(10-4-11)18-24(2,21)22/h3-10,18H,1-2H3,(H,17,19)
InChIKeyZSLYZAWRFJAPNG-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-iodophenyl)-4-(methanesulfonamido)benzamide
CID 1289280
methyl 3-hydroxy-4-[[4-(methanesulfonamido)benzoyl]amino]benzoate
CID 108767152
methyl 4-[[4-[(4-hydroxyphenyl)carbamoyl]phenyl]carbamoyl]benzoate
CID 3353390
methyl 4-[(4-carbamoylphenyl)carbamoyl]benzoate
CID 5085217
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
methyl 4-[(4-carbamoylbenzoyl)amino]benzoate
CID 30845691
methyl 4-[[4-(pyridin-4-ylsulfamoyl)benzoyl]amino]benzoate
CID 39393529
4-(methanesulfonamido)-N-(3-methoxyphenyl)benzamide
CID 958689
methyl 4-(pyridine-4-carbonylamino)benzoate;hydrochloride
CID 110756565
N-(3,4-difluorophenyl)-4-(methanesulfonamido)benzamide
CID 1265569
methyl 4-[(4-acetamidophenyl)sulfonylamino]benzoate
CID 669173
methyl 4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]benzoate
CID 17178280

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-(methanesulfonamido)benzoyl]amino]benzoate?
The IUPAC name of methyl 4-[[4-(methanesulfonamido)benzoyl]amino]benzoate (CID 967516) is methyl 4-[[4-(methanesulfonamido)benzoyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[4-(methanesulfonamido)benzoyl]amino]benzoate?
The canonical SMILES for methyl 4-[[4-(methanesulfonamido)benzoyl]amino]benzoate is COC(=O)c1ccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1.
What is the InChIKey of methyl 4-[[4-(methanesulfonamido)benzoyl]amino]benzoate?
The InChIKey is ZSLYZAWRFJAPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S/c1-23-16(20)12-5-7-13(8-6-12)17-15(19)11-3-9-14(10-4-11)18-24(2,21)22/h3-10,18H,1-2H3,(H,17,19).
What are the key properties of methyl 4-[[4-(methanesulfonamido)benzoyl]amino]benzoate?
methyl 4-[[4-(methanesulfonamido)benzoyl]amino]benzoate has a molecular weight of 348.38 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-(methanesulfonamido)benzoyl]amino]benzoate is sourced from PubChem (CID 967516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).