methyl 4-chloro-2-[[4-(methylsulfamoyl)phenyl]sulfonylamino]benzoate

C15H15ClN2O6S2 — CID 39977655

IUPACmethyl 4-chloro-2-[[4-(methylsulfamoyl)phenyl]sulfonylamino]benzoate
SMILESCNS(=O)(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C(=O)OC)cc1
InChIInChI=1S/C15H15ClN2O6S2/c1-17-25(20,21)11-4-6-12(7-5-11)26(22,23)18-14-9-10(16)3-8-13(14)15(19)24-2/h3-9,17-18H,1-2H3
InChIKeyLJUPVAIXAFPBMK-UHFFFAOYSA-N
MW418.88 g/mol
LogP1.84
Rot. Bonds6

About methyl 4-chloro-2-[[4-(methylsulfamoyl)phenyl]sulfonylamino]benzoate

methyl 4-chloro-2-[[4-(methylsulfamoyl)phenyl]sulfonylamino]benzoate (PubChem CID 39977655) has the molecular formula C15H15ClN2O6S2 and a molecular weight of 418.88 g/mol. Its IUPAC name is methyl 4-chloro-2-[[4-(methylsulfamoyl)phenyl]sulfonylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-2-[[4-(methylsulfamoyl)phenyl]sulfonylamino]benzoate
PubChem CID39977655
Molecular FormulaC15H15ClN2O6S2
Molecular Weight418.88 g/mol
Exact Mass418.01
IUPAC Namemethyl 4-chloro-2-[[4-(methylsulfamoyl)phenyl]sulfonylamino]benzoate
SMILESCNS(=O)(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C(=O)OC)cc1
InChIInChI=1S/C15H15ClN2O6S2/c1-17-25(20,21)11-4-6-12(7-5-11)26(22,23)18-14-9-10(16)3-8-13(14)15(19)24-2/h3-9,17-18H,1-2H3
InChIKeyLJUPVAIXAFPBMK-UHFFFAOYSA-N
XLogP1.84
TPSA118.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.88
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-[[4-(methylsulfamoyl)phenyl]sulfonylamino]benzoate?
The IUPAC name of methyl 4-chloro-2-[[4-(methylsulfamoyl)phenyl]sulfonylamino]benzoate (CID 39977655) is methyl 4-chloro-2-[[4-(methylsulfamoyl)phenyl]sulfonylamino]benzoate.
What is the SMILES notation for methyl 4-chloro-2-[[4-(methylsulfamoyl)phenyl]sulfonylamino]benzoate?
The canonical SMILES for methyl 4-chloro-2-[[4-(methylsulfamoyl)phenyl]sulfonylamino]benzoate is CNS(=O)(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C(=O)OC)cc1.
What is the InChIKey of methyl 4-chloro-2-[[4-(methylsulfamoyl)phenyl]sulfonylamino]benzoate?
The InChIKey is LJUPVAIXAFPBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O6S2/c1-17-25(20,21)11-4-6-12(7-5-11)26(22,23)18-14-9-10(16)3-8-13(14)15(19)24-2/h3-9,17-18H,1-2H3.
What are the key properties of methyl 4-chloro-2-[[4-(methylsulfamoyl)phenyl]sulfonylamino]benzoate?
methyl 4-chloro-2-[[4-(methylsulfamoyl)phenyl]sulfonylamino]benzoate has a molecular weight of 418.88 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-[[4-(methylsulfamoyl)phenyl]sulfonylamino]benzoate is sourced from PubChem (CID 39977655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).