ethyl 5-(methanesulfonamido)-2-methylbenzoate

C11H15NO4S — CID 59066715

IUPACethyl 5-(methanesulfonamido)-2-methylbenzoate
SMILESCCOC(=O)c1cc(NS(C)(=O)=O)ccc1C
InChIInChI=1S/C11H15NO4S/c1-4-16-11(13)10-7-9(6-5-8(10)2)12-17(3,14)15/h5-7,12H,4H2,1-3H3
InChIKeyRUTLOHSTXVZDFS-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.54
Rot. Bonds4

About ethyl 5-(methanesulfonamido)-2-methylbenzoate

ethyl 5-(methanesulfonamido)-2-methylbenzoate (PubChem CID 59066715) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is ethyl 5-(methanesulfonamido)-2-methylbenzoate.

Molecular Properties

Compound Nameethyl 5-(methanesulfonamido)-2-methylbenzoate
PubChem CID59066715
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Nameethyl 5-(methanesulfonamido)-2-methylbenzoate
SMILESCCOC(=O)c1cc(NS(C)(=O)=O)ccc1C
InChIInChI=1S/C11H15NO4S/c1-4-16-11(13)10-7-9(6-5-8(10)2)12-17(3,14)15/h5-7,12H,4H2,1-3H3
InChIKeyRUTLOHSTXVZDFS-UHFFFAOYSA-N
XLogP1.54
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[4-(methanesulfonamido)anilino]benzoate
CID 112989811
5-[(3-ethoxy-3-oxopropyl)sulfonylamino]-2-methylbenzoic acid
CID 63653859
2-[(3-ethoxycarbonyl-4-methylphenyl)sulfonylamino]acetic acid
CID 120968641
ethane;ethyl 5-fluoro-2-methylbenzoate
CID 143556291
ethyl 2-chloro-5-[(2-methylphenyl)methylsulfonylamino]benzoate
CID 46770519
ethyl 4-hydroxy-3-(methanesulfonamido)benzoate
CID 18982707
2-amino-5-(methanesulfonamido)benzamide
CID 59583438
ethyl 5-[(4-chlorophenyl)sulfonylamino]-2-hydroxybenzoate
CID 1228409
2-methyl-5-(propylsulfonylamino)benzoic acid
CID 63653698
ethyl 4-[3-(methanesulfonamido)anilino]quinoline-3-carboxylate
CID 155927197
(2S)-2-[(3-ethoxycarbonyl-4-methylphenyl)sulfonylamino]propanoic acid
CID 120968715
(2R)-2-[(3-ethoxycarbonyl-4-methylphenyl)sulfonylamino]propanoic acid
CID 120968800

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(methanesulfonamido)-2-methylbenzoate?
The IUPAC name of ethyl 5-(methanesulfonamido)-2-methylbenzoate (CID 59066715) is ethyl 5-(methanesulfonamido)-2-methylbenzoate.
What is the SMILES notation for ethyl 5-(methanesulfonamido)-2-methylbenzoate?
The canonical SMILES for ethyl 5-(methanesulfonamido)-2-methylbenzoate is CCOC(=O)c1cc(NS(C)(=O)=O)ccc1C.
What is the InChIKey of ethyl 5-(methanesulfonamido)-2-methylbenzoate?
The InChIKey is RUTLOHSTXVZDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-4-16-11(13)10-7-9(6-5-8(10)2)12-17(3,14)15/h5-7,12H,4H2,1-3H3.
What are the key properties of ethyl 5-(methanesulfonamido)-2-methylbenzoate?
ethyl 5-(methanesulfonamido)-2-methylbenzoate has a molecular weight of 257.31 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(methanesulfonamido)-2-methylbenzoate is sourced from PubChem (CID 59066715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).