4-[[2-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzoic acid

C17H13N3O5S2 — CID 3118205

IUPAC4-[[2-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)Nc2ccccc2S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C17H13N3O5S2/c21-15(11-5-7-12(8-6-11)16(22)23)19-13-3-1-2-4-14(13)27(24,25)20-17-18-9-10-26-17/h1-10H,(H,18,20)(H,19,21)(H,22,23)
InChIKeyFTYRMWWSCJNAHU-UHFFFAOYSA-N
MW403.44 g/mol
LogP2.89
Rot. Bonds6

About 4-[[2-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzoic acid

4-[[2-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzoic acid (PubChem CID 3118205) has the molecular formula C17H13N3O5S2 and a molecular weight of 403.44 g/mol. Its IUPAC name is 4-[[2-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name4-[[2-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzoic acid
PubChem CID3118205
Molecular FormulaC17H13N3O5S2
Molecular Weight403.44 g/mol
Exact Mass403.03
IUPAC Name4-[[2-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)Nc2ccccc2S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C17H13N3O5S2/c21-15(11-5-7-12(8-6-11)16(22)23)19-13-3-1-2-4-14(13)27(24,25)20-17-18-9-10-26-17/h1-10H,(H,18,20)(H,19,21)(H,22,23)
InChIKeyFTYRMWWSCJNAHU-UHFFFAOYSA-N
XLogP2.89
TPSA125.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzoic acid?
The IUPAC name of 4-[[2-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzoic acid (CID 3118205) is 4-[[2-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzoic acid.
What is the SMILES notation for 4-[[2-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzoic acid?
The canonical SMILES for 4-[[2-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzoic acid is O=C(O)c1ccc(C(=O)Nc2ccccc2S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 4-[[2-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzoic acid?
The InChIKey is FTYRMWWSCJNAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O5S2/c21-15(11-5-7-12(8-6-11)16(22)23)19-13-3-1-2-4-14(13)27(24,25)20-17-18-9-10-26-17/h1-10H,(H,18,20)(H,19,21)(H,22,23).
What are the key properties of 4-[[2-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzoic acid?
4-[[2-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzoic acid has a molecular weight of 403.44 g/mol, XLogP of 2.89, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzoic acid is sourced from PubChem (CID 3118205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).