methyl 3-chloro-2-[(4-ethyl-5-methyl-1,3-oxazole-2-carbonyl)sulfamoyl]benzoate

C15H15ClN2O6S — CID 18434653

IUPACmethyl 3-chloro-2-[(4-ethyl-5-methyl-1,3-oxazole-2-carbonyl)sulfamoyl]benzoate
SMILESCCc1nc(C(=O)NS(=O)(=O)c2c(Cl)cccc2C(=O)OC)oc1C
InChIInChI=1S/C15H15ClN2O6S/c1-4-11-8(2)24-14(17-11)13(19)18-25(21,22)12-9(15(20)23-3)6-5-7-10(12)16/h5-7H,4H2,1-3H3,(H,18,19)
InChIKeyFFSLFVVWWNWCJC-UHFFFAOYSA-N
MW386.81 g/mol
LogP2.10
Rot. Bonds5

About methyl 3-chloro-2-[(4-ethyl-5-methyl-1,3-oxazole-2-carbonyl)sulfamoyl]benzoate

methyl 3-chloro-2-[(4-ethyl-5-methyl-1,3-oxazole-2-carbonyl)sulfamoyl]benzoate (PubChem CID 18434653) has the molecular formula C15H15ClN2O6S and a molecular weight of 386.81 g/mol. Its IUPAC name is methyl 3-chloro-2-[(4-ethyl-5-methyl-1,3-oxazole-2-carbonyl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-chloro-2-[(4-ethyl-5-methyl-1,3-oxazole-2-carbonyl)sulfamoyl]benzoate
PubChem CID18434653
Molecular FormulaC15H15ClN2O6S
Molecular Weight386.81 g/mol
Exact Mass386.03
IUPAC Namemethyl 3-chloro-2-[(4-ethyl-5-methyl-1,3-oxazole-2-carbonyl)sulfamoyl]benzoate
SMILESCCc1nc(C(=O)NS(=O)(=O)c2c(Cl)cccc2C(=O)OC)oc1C
InChIInChI=1S/C15H15ClN2O6S/c1-4-11-8(2)24-14(17-11)13(19)18-25(21,22)12-9(15(20)23-3)6-5-7-10(12)16/h5-7H,4H2,1-3H3,(H,18,19)
InChIKeyFFSLFVVWWNWCJC-UHFFFAOYSA-N
XLogP2.10
TPSA115.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.81
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-2-[(4-ethyl-5-methyl-1,3-oxazole-2-carbonyl)sulfamoyl]benzoate?
The IUPAC name of methyl 3-chloro-2-[(4-ethyl-5-methyl-1,3-oxazole-2-carbonyl)sulfamoyl]benzoate (CID 18434653) is methyl 3-chloro-2-[(4-ethyl-5-methyl-1,3-oxazole-2-carbonyl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 3-chloro-2-[(4-ethyl-5-methyl-1,3-oxazole-2-carbonyl)sulfamoyl]benzoate?
The canonical SMILES for methyl 3-chloro-2-[(4-ethyl-5-methyl-1,3-oxazole-2-carbonyl)sulfamoyl]benzoate is CCc1nc(C(=O)NS(=O)(=O)c2c(Cl)cccc2C(=O)OC)oc1C.
What is the InChIKey of methyl 3-chloro-2-[(4-ethyl-5-methyl-1,3-oxazole-2-carbonyl)sulfamoyl]benzoate?
The InChIKey is FFSLFVVWWNWCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O6S/c1-4-11-8(2)24-14(17-11)13(19)18-25(21,22)12-9(15(20)23-3)6-5-7-10(12)16/h5-7H,4H2,1-3H3,(H,18,19).
What are the key properties of methyl 3-chloro-2-[(4-ethyl-5-methyl-1,3-oxazole-2-carbonyl)sulfamoyl]benzoate?
methyl 3-chloro-2-[(4-ethyl-5-methyl-1,3-oxazole-2-carbonyl)sulfamoyl]benzoate has a molecular weight of 386.81 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-2-[(4-ethyl-5-methyl-1,3-oxazole-2-carbonyl)sulfamoyl]benzoate is sourced from PubChem (CID 18434653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).