methyl 2-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoate

C16H17NO5S — CID 7939248

IUPACmethyl 2-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)Nc1cc(C)ccc1OC
InChIInChI=1S/C16H17NO5S/c1-11-8-9-14(21-2)13(10-11)17-23(19,20)15-7-5-4-6-12(15)16(18)22-3/h4-10,17H,1-3H3
InChIKeyUHYWRDRTZMLIGW-UHFFFAOYSA-N
MW335.38 g/mol
LogP2.59
Rot. Bonds5

About methyl 2-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoate

methyl 2-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoate (PubChem CID 7939248) has the molecular formula C16H17NO5S and a molecular weight of 335.38 g/mol. Its IUPAC name is methyl 2-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoate
PubChem CID7939248
Molecular FormulaC16H17NO5S
Molecular Weight335.38 g/mol
Exact Mass335.08
IUPAC Namemethyl 2-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)Nc1cc(C)ccc1OC
InChIInChI=1S/C16H17NO5S/c1-11-8-9-14(21-2)13(10-11)17-23(19,20)15-7-5-4-6-12(15)16(18)22-3/h4-10,17H,1-3H3
InChIKeyUHYWRDRTZMLIGW-UHFFFAOYSA-N
XLogP2.59
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(5-methyl-2-pyridinyl)sulfamoyl]benzoate
CID 3870610
methyl 2-[(2-methoxyphenyl)sulfonylamino]benzoate
CID 110757322
methyl 2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]benzoate
CID 27242666
methyl 2-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate
CID 8523413
ethyl 2-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate
CID 95969690
methyl 2-[(2-methoxydibenzofuran-3-yl)sulfamoyl]benzoate
CID 2457012
methyl 2-[(4-iodo-2-methylphenyl)sulfamoyl]benzoate
CID 5102720
2,4-dichloro-5-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoic acid
CID 2471817
methyl 2-[(2-bromo-4-fluorophenyl)sulfamoyl]benzoate
CID 3831628
methyl 2-(phenylsulfamoyl)benzoate
CID 7939210
methyl 2-[(2,4-dichlorophenyl)sulfamoyl]benzoate
CID 54141617
(2-methoxy-5-methylphenyl)sulfamic acid
CID 11844868

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoate?
The IUPAC name of methyl 2-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoate (CID 7939248) is methyl 2-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 2-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoate?
The canonical SMILES for methyl 2-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoate is COC(=O)c1ccccc1S(=O)(=O)Nc1cc(C)ccc1OC.
What is the InChIKey of methyl 2-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoate?
The InChIKey is UHYWRDRTZMLIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5S/c1-11-8-9-14(21-2)13(10-11)17-23(19,20)15-7-5-4-6-12(15)16(18)22-3/h4-10,17H,1-3H3.
What are the key properties of methyl 2-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoate?
methyl 2-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoate has a molecular weight of 335.38 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoate is sourced from PubChem (CID 7939248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).