methyl 3-(methanesulfonamido)benzoate

C9H11NO4S — CID 2806372

IUPACmethyl 3-(methanesulfonamido)benzoate
SMILESCOC(=O)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C9H11NO4S/c1-14-9(11)7-4-3-5-8(6-7)10-15(2,12)13/h3-6,10H,1-2H3
InChIKeyUQIOKJVVJMHUTP-UHFFFAOYSA-N
MW229.26 g/mol
LogP0.84
Rot. Bonds3

About methyl 3-(methanesulfonamido)benzoate

methyl 3-(methanesulfonamido)benzoate (PubChem CID 2806372) has the molecular formula C9H11NO4S and a molecular weight of 229.26 g/mol. Its IUPAC name is methyl 3-(methanesulfonamido)benzoate.

Molecular Properties

Compound Namemethyl 3-(methanesulfonamido)benzoate
PubChem CID2806372
Molecular FormulaC9H11NO4S
Molecular Weight229.26 g/mol
Exact Mass229.04
IUPAC Namemethyl 3-(methanesulfonamido)benzoate
SMILESCOC(=O)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C9H11NO4S/c1-14-9(11)7-4-3-5-8(6-7)10-15(2,12)13/h3-6,10H,1-2H3
InChIKeyUQIOKJVVJMHUTP-UHFFFAOYSA-N
XLogP0.84
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(methanesulfonamido)benzoate?
The IUPAC name of methyl 3-(methanesulfonamido)benzoate (CID 2806372) is methyl 3-(methanesulfonamido)benzoate.
What is the SMILES notation for methyl 3-(methanesulfonamido)benzoate?
The canonical SMILES for methyl 3-(methanesulfonamido)benzoate is COC(=O)c1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of methyl 3-(methanesulfonamido)benzoate?
The InChIKey is UQIOKJVVJMHUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4S/c1-14-9(11)7-4-3-5-8(6-7)10-15(2,12)13/h3-6,10H,1-2H3.
What are the key properties of methyl 3-(methanesulfonamido)benzoate?
methyl 3-(methanesulfonamido)benzoate has a molecular weight of 229.26 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(methanesulfonamido)benzoate is sourced from PubChem (CID 2806372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).