2-ethyl-5-[(4-methylthiadiazol-5-yl)methylsulfamoyl]benzoic acid

C13H15N3O4S2 — CID 146128626

IUPAC2-ethyl-5-[(4-methylthiadiazol-5-yl)methylsulfamoyl]benzoic acid
SMILESCCc1ccc(S(=O)(=O)NCc2snnc2C)cc1C(=O)O
InChIInChI=1S/C13H15N3O4S2/c1-3-9-4-5-10(6-11(9)13(17)18)22(19,20)14-7-12-8(2)15-16-21-12/h4-6,14H,3,7H2,1-2H3,(H,17,18)
InChIKeyIHKHOYKXOBTDEO-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.59
Rot. Bonds6

About 2-ethyl-5-[(4-methylthiadiazol-5-yl)methylsulfamoyl]benzoic acid

2-ethyl-5-[(4-methylthiadiazol-5-yl)methylsulfamoyl]benzoic acid (PubChem CID 146128626) has the molecular formula C13H15N3O4S2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-ethyl-5-[(4-methylthiadiazol-5-yl)methylsulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-ethyl-5-[(4-methylthiadiazol-5-yl)methylsulfamoyl]benzoic acid
PubChem CID146128626
Molecular FormulaC13H15N3O4S2
Molecular Weight341.41 g/mol
Exact Mass341.05
IUPAC Name2-ethyl-5-[(4-methylthiadiazol-5-yl)methylsulfamoyl]benzoic acid
SMILESCCc1ccc(S(=O)(=O)NCc2snnc2C)cc1C(=O)O
InChIInChI=1S/C13H15N3O4S2/c1-3-9-4-5-10(6-11(9)13(17)18)22(19,20)14-7-12-8(2)15-16-21-12/h4-6,14H,3,7H2,1-2H3,(H,17,18)
InChIKeyIHKHOYKXOBTDEO-UHFFFAOYSA-N
XLogP1.59
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(but-3-enylsulfamoyl)-2-ethylbenzoic acid
CID 113465369
2-hydroxy-5-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]benzoic acid
CID 61044195
2-hydroxy-5-(2-methylpropylsulfamoyl)benzoic acid
CID 14490063
5-chlorosulfonyl-2-ethylbenzoic acid
CID 55280877
2-methyl-5-(thiophen-2-ylmethylsulfamoyl)benzoic acid
CID 2447471
2-hydroxy-5-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]benzoic acid
CID 106370356
4-(benzylsulfamoyl)-2-carboxyphenolate
CID 54712789
2-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]benzoic acid
CID 61066738
2-ethyl-5-(morpholin-4-ylsulfamoyl)benzoic acid
CID 83004105
4,5-dimethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole;2-ethyl-5-(methylsulfamoyl)benzoic acid
CID 143163093
5-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-2-hydroxybenzoic acid
CID 106168283
2-[(3-amino-4-ethylphenyl)sulfonylamino]acetamide
CID 43257083

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[(4-methylthiadiazol-5-yl)methylsulfamoyl]benzoic acid?
The IUPAC name of 2-ethyl-5-[(4-methylthiadiazol-5-yl)methylsulfamoyl]benzoic acid (CID 146128626) is 2-ethyl-5-[(4-methylthiadiazol-5-yl)methylsulfamoyl]benzoic acid.
What is the SMILES notation for 2-ethyl-5-[(4-methylthiadiazol-5-yl)methylsulfamoyl]benzoic acid?
The canonical SMILES for 2-ethyl-5-[(4-methylthiadiazol-5-yl)methylsulfamoyl]benzoic acid is CCc1ccc(S(=O)(=O)NCc2snnc2C)cc1C(=O)O.
What is the InChIKey of 2-ethyl-5-[(4-methylthiadiazol-5-yl)methylsulfamoyl]benzoic acid?
The InChIKey is IHKHOYKXOBTDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S2/c1-3-9-4-5-10(6-11(9)13(17)18)22(19,20)14-7-12-8(2)15-16-21-12/h4-6,14H,3,7H2,1-2H3,(H,17,18).
What are the key properties of 2-ethyl-5-[(4-methylthiadiazol-5-yl)methylsulfamoyl]benzoic acid?
2-ethyl-5-[(4-methylthiadiazol-5-yl)methylsulfamoyl]benzoic acid has a molecular weight of 341.41 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[(4-methylthiadiazol-5-yl)methylsulfamoyl]benzoic acid is sourced from PubChem (CID 146128626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).