methyl 2-methyl-6-[(3-sulfamoylphenyl)sulfonylamino]benzoate

C15H16N2O6S2 — CID 18283717

IUPACmethyl 2-methyl-6-[(3-sulfamoylphenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1c(C)cccc1NS(=O)(=O)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C15H16N2O6S2/c1-10-5-3-8-13(14(10)15(18)23-2)17-25(21,22)12-7-4-6-11(9-12)24(16,19)20/h3-9,17H,1-2H3,(H2,16,19,20)
InChIKeyFJWXWDXYTJHQFY-UHFFFAOYSA-N
MW384.44 g/mol
LogP1.23
Rot. Bonds5

About methyl 2-methyl-6-[(3-sulfamoylphenyl)sulfonylamino]benzoate

methyl 2-methyl-6-[(3-sulfamoylphenyl)sulfonylamino]benzoate (PubChem CID 18283717) has the molecular formula C15H16N2O6S2 and a molecular weight of 384.44 g/mol. Its IUPAC name is methyl 2-methyl-6-[(3-sulfamoylphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-methyl-6-[(3-sulfamoylphenyl)sulfonylamino]benzoate
PubChem CID18283717
Molecular FormulaC15H16N2O6S2
Molecular Weight384.44 g/mol
Exact Mass384.04
IUPAC Namemethyl 2-methyl-6-[(3-sulfamoylphenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1c(C)cccc1NS(=O)(=O)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C15H16N2O6S2/c1-10-5-3-8-13(14(10)15(18)23-2)17-25(21,22)12-7-4-6-11(9-12)24(16,19)20/h3-9,17H,1-2H3,(H2,16,19,20)
InChIKeyFJWXWDXYTJHQFY-UHFFFAOYSA-N
XLogP1.23
TPSA132.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(3-bromophenyl)sulfonylamino]-6-methylbenzoate
CID 17480748
3-N-(2-ethylphenyl)benzene-1,3-disulfonamide
CID 30286365
N-[4-methoxy-3-[(3-sulfamoylphenyl)sulfonylamino]phenyl]acetamide
CID 30286465
N-(2-methylphenyl)-3-[3-[(2-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide
CID 2833501
N-(4-methoxyphenyl)-2-[(3-sulfamoylphenyl)sulfonylamino]benzamide
CID 30286393
3-N-naphthalen-1-ylbenzene-1,3-disulfonamide
CID 30285558
3-N-methoxybenzene-1,3-disulfonamide
CID 60713608
2-[(3-fluorophenyl)sulfonylamino]-6-methylbenzenecarboximidamide
CID 107806205
3-N-(3-methoxyphenyl)benzene-1,3-disulfonamide
CID 31064512
methyl 3-[(2-iodophenyl)sulfamoyl]benzoate
CID 31699712
2-methyl-6-(sulfamoylamino)benzoic acid
CID 114958898
methyl 2-(ethylamino)-6-methylbenzoate
CID 130734584

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-6-[(3-sulfamoylphenyl)sulfonylamino]benzoate?
The IUPAC name of methyl 2-methyl-6-[(3-sulfamoylphenyl)sulfonylamino]benzoate (CID 18283717) is methyl 2-methyl-6-[(3-sulfamoylphenyl)sulfonylamino]benzoate.
What is the SMILES notation for methyl 2-methyl-6-[(3-sulfamoylphenyl)sulfonylamino]benzoate?
The canonical SMILES for methyl 2-methyl-6-[(3-sulfamoylphenyl)sulfonylamino]benzoate is COC(=O)c1c(C)cccc1NS(=O)(=O)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of methyl 2-methyl-6-[(3-sulfamoylphenyl)sulfonylamino]benzoate?
The InChIKey is FJWXWDXYTJHQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O6S2/c1-10-5-3-8-13(14(10)15(18)23-2)17-25(21,22)12-7-4-6-11(9-12)24(16,19)20/h3-9,17H,1-2H3,(H2,16,19,20).
What are the key properties of methyl 2-methyl-6-[(3-sulfamoylphenyl)sulfonylamino]benzoate?
methyl 2-methyl-6-[(3-sulfamoylphenyl)sulfonylamino]benzoate has a molecular weight of 384.44 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-6-[(3-sulfamoylphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 18283717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).