sodium 2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzoate

C17H12N3NaO5S2 — CID 23693349

IUPACsodium 2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzoate
SMILESO=C([O-])c1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.[Na+]
InChIInChI=1S/C17H13N3O5S2.Na/c21-15(13-3-1-2-4-14(13)16(22)23)19-11-5-7-12(8-6-11)27(24,25)20-17-18-9-10-26-17;/h1-10H,(H,18,20)(H,19,21)(H,22,23);/q;+1/p-1
InChIKeyCWXDFUNTMRVKFA-UHFFFAOYSA-M
MW425.42 g/mol
LogP-1.44
Rot. Bonds6

About sodium 2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzoate

sodium 2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzoate (PubChem CID 23693349) has the molecular formula C17H12N3NaO5S2 and a molecular weight of 425.42 g/mol. Its IUPAC name is sodium 2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzoate.

Molecular Properties

Compound Namesodium 2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzoate
PubChem CID23693349
Molecular FormulaC17H12N3NaO5S2
Molecular Weight425.42 g/mol
Exact Mass425.01
IUPAC Namesodium 2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzoate
SMILESO=C([O-])c1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.[Na+]
InChIInChI=1S/C17H13N3O5S2.Na/c21-15(13-3-1-2-4-14(13)16(22)23)19-11-5-7-12(8-6-11)27(24,25)20-17-18-9-10-26-17;/h1-10H,(H,18,20)(H,19,21)(H,22,23);/q;+1/p-1
InChIKeyCWXDFUNTMRVKFA-UHFFFAOYSA-M
XLogP-1.44
TPSA128.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.42
LogP ≤ 5-1.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of sodium 2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzoate?
The IUPAC name of sodium 2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzoate (CID 23693349) is sodium 2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzoate.
What is the SMILES notation for sodium 2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzoate?
The canonical SMILES for sodium 2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzoate is O=C([O-])c1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.[Na+].
What is the InChIKey of sodium 2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzoate?
The InChIKey is CWXDFUNTMRVKFA-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H13N3O5S2.Na/c21-15(13-3-1-2-4-14(13)16(22)23)19-11-5-7-12(8-6-11)27(24,25)20-17-18-9-10-26-17;/h1-10H,(H,18,20)(H,19,21)(H,22,23);/q;+1/p-1.
What are the key properties of sodium 2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzoate?
sodium 2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzoate has a molecular weight of 425.42 g/mol, XLogP of -1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzoate is sourced from PubChem (CID 23693349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).