methyl 2-[methyl(methylsulfonyl)amino]benzoate

C10H13NO4S — CID 720628

IUPACmethyl 2-[methyl(methylsulfonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1N(C)S(C)(=O)=O
InChIInChI=1S/C10H13NO4S/c1-11(16(3,13)14)9-7-5-4-6-8(9)10(12)15-2/h4-7H,1-3H3
InChIKeyLNOBDDMPOQKMAN-UHFFFAOYSA-N
MW243.28 g/mol
LogP0.87
Rot. Bonds3

About methyl 2-[methyl(methylsulfonyl)amino]benzoate

methyl 2-[methyl(methylsulfonyl)amino]benzoate (PubChem CID 720628) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is methyl 2-[methyl(methylsulfonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[methyl(methylsulfonyl)amino]benzoate
PubChem CID720628
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Namemethyl 2-[methyl(methylsulfonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1N(C)S(C)(=O)=O
InChIInChI=1S/C10H13NO4S/c1-11(16(3,13)14)9-7-5-4-6-8(9)10(12)15-2/h4-7H,1-3H3
InChIKeyLNOBDDMPOQKMAN-UHFFFAOYSA-N
XLogP0.87
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl(methylsulfonyl)amino]benzoate?
The IUPAC name of methyl 2-[methyl(methylsulfonyl)amino]benzoate (CID 720628) is methyl 2-[methyl(methylsulfonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[methyl(methylsulfonyl)amino]benzoate?
The canonical SMILES for methyl 2-[methyl(methylsulfonyl)amino]benzoate is COC(=O)c1ccccc1N(C)S(C)(=O)=O.
What is the InChIKey of methyl 2-[methyl(methylsulfonyl)amino]benzoate?
The InChIKey is LNOBDDMPOQKMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-11(16(3,13)14)9-7-5-4-6-8(9)10(12)15-2/h4-7H,1-3H3.
What are the key properties of methyl 2-[methyl(methylsulfonyl)amino]benzoate?
methyl 2-[methyl(methylsulfonyl)amino]benzoate has a molecular weight of 243.28 g/mol, XLogP of 0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl(methylsulfonyl)amino]benzoate is sourced from PubChem (CID 720628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).