methyl 3-(methanesulfonamido)-2-methylbenzoate

C10H13NO4S — CID 975930

IUPACmethyl 3-(methanesulfonamido)-2-methylbenzoate
SMILESCOC(=O)c1cccc(NS(C)(=O)=O)c1C
InChIInChI=1S/C10H13NO4S/c1-7-8(10(12)15-2)5-4-6-9(7)11-16(3,13)14/h4-6,11H,1-3H3
InChIKeyKUOLBTHPBVWMSQ-UHFFFAOYSA-N
MW243.28 g/mol
LogP1.15
Rot. Bonds3

About methyl 3-(methanesulfonamido)-2-methylbenzoate

methyl 3-(methanesulfonamido)-2-methylbenzoate (PubChem CID 975930) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is methyl 3-(methanesulfonamido)-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-(methanesulfonamido)-2-methylbenzoate
PubChem CID975930
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Namemethyl 3-(methanesulfonamido)-2-methylbenzoate
SMILESCOC(=O)c1cccc(NS(C)(=O)=O)c1C
InChIInChI=1S/C10H13NO4S/c1-7-8(10(12)15-2)5-4-6-9(7)11-16(3,13)14/h4-6,11H,1-3H3
InChIKeyKUOLBTHPBVWMSQ-UHFFFAOYSA-N
XLogP1.15
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(methanesulfonamido)-2-methylbenzoate?
The IUPAC name of methyl 3-(methanesulfonamido)-2-methylbenzoate (CID 975930) is methyl 3-(methanesulfonamido)-2-methylbenzoate.
What is the SMILES notation for methyl 3-(methanesulfonamido)-2-methylbenzoate?
The canonical SMILES for methyl 3-(methanesulfonamido)-2-methylbenzoate is COC(=O)c1cccc(NS(C)(=O)=O)c1C.
What is the InChIKey of methyl 3-(methanesulfonamido)-2-methylbenzoate?
The InChIKey is KUOLBTHPBVWMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-7-8(10(12)15-2)5-4-6-9(7)11-16(3,13)14/h4-6,11H,1-3H3.
What are the key properties of methyl 3-(methanesulfonamido)-2-methylbenzoate?
methyl 3-(methanesulfonamido)-2-methylbenzoate has a molecular weight of 243.28 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(methanesulfonamido)-2-methylbenzoate is sourced from PubChem (CID 975930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).