methyl 2-[(2-methyl-1,3-benzothiazol-6-yl)sulfamoyl]benzoate

C16H14N2O4S2 — CID 8892143

IUPACmethyl 2-[(2-methyl-1,3-benzothiazol-6-yl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)Nc1ccc2nc(C)sc2c1
InChIInChI=1S/C16H14N2O4S2/c1-10-17-13-8-7-11(9-14(13)23-10)18-24(20,21)15-6-4-3-5-12(15)16(19)22-2/h3-9,18H,1-2H3
InChIKeyIGEDUSJVVUGYCY-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.19
Rot. Bonds4

About methyl 2-[(2-methyl-1,3-benzothiazol-6-yl)sulfamoyl]benzoate

methyl 2-[(2-methyl-1,3-benzothiazol-6-yl)sulfamoyl]benzoate (PubChem CID 8892143) has the molecular formula C16H14N2O4S2 and a molecular weight of 362.43 g/mol. Its IUPAC name is methyl 2-[(2-methyl-1,3-benzothiazol-6-yl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-methyl-1,3-benzothiazol-6-yl)sulfamoyl]benzoate
PubChem CID8892143
Molecular FormulaC16H14N2O4S2
Molecular Weight362.43 g/mol
Exact Mass362.04
IUPAC Namemethyl 2-[(2-methyl-1,3-benzothiazol-6-yl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)Nc1ccc2nc(C)sc2c1
InChIInChI=1S/C16H14N2O4S2/c1-10-17-13-8-7-11(9-14(13)23-10)18-24(20,21)15-6-4-3-5-12(15)16(19)22-2/h3-9,18H,1-2H3
InChIKeyIGEDUSJVVUGYCY-UHFFFAOYSA-N
XLogP3.19
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methyl-1,3-benzothiazol-6-yl)sulfamoyl]benzoate?
The IUPAC name of methyl 2-[(2-methyl-1,3-benzothiazol-6-yl)sulfamoyl]benzoate (CID 8892143) is methyl 2-[(2-methyl-1,3-benzothiazol-6-yl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 2-[(2-methyl-1,3-benzothiazol-6-yl)sulfamoyl]benzoate?
The canonical SMILES for methyl 2-[(2-methyl-1,3-benzothiazol-6-yl)sulfamoyl]benzoate is COC(=O)c1ccccc1S(=O)(=O)Nc1ccc2nc(C)sc2c1.
What is the InChIKey of methyl 2-[(2-methyl-1,3-benzothiazol-6-yl)sulfamoyl]benzoate?
The InChIKey is IGEDUSJVVUGYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S2/c1-10-17-13-8-7-11(9-14(13)23-10)18-24(20,21)15-6-4-3-5-12(15)16(19)22-2/h3-9,18H,1-2H3.
What are the key properties of methyl 2-[(2-methyl-1,3-benzothiazol-6-yl)sulfamoyl]benzoate?
methyl 2-[(2-methyl-1,3-benzothiazol-6-yl)sulfamoyl]benzoate has a molecular weight of 362.43 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methyl-1,3-benzothiazol-6-yl)sulfamoyl]benzoate is sourced from PubChem (CID 8892143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).