4-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide

C22H17N3O3S2 — CID 1106557

IUPAC4-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H17N3O3S2/c26-21(18-8-6-17(7-9-18)16-4-2-1-3-5-16)24-19-10-12-20(13-11-19)30(27,28)25-22-23-14-15-29-22/h1-15H,(H,23,25)(H,24,26)
InChIKeyKZDXYDYXLXLFBU-UHFFFAOYSA-N
MW435.53 g/mol
LogP4.86
Rot. Bonds6

About 4-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide

4-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide (PubChem CID 1106557) has the molecular formula C22H17N3O3S2 and a molecular weight of 435.53 g/mol. Its IUPAC name is 4-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
PubChem CID1106557
Molecular FormulaC22H17N3O3S2
Molecular Weight435.53 g/mol
Exact Mass435.07
IUPAC Name4-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H17N3O3S2/c26-21(18-8-6-17(7-9-18)16-4-2-1-3-5-16)24-19-10-12-20(13-11-19)30(27,28)25-22-23-14-15-29-22/h1-15H,(H,23,25)(H,24,26)
InChIKeyKZDXYDYXLXLFBU-UHFFFAOYSA-N
XLogP4.86
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
The IUPAC name of 4-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide (CID 1106557) is 4-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 4-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 4-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
The InChIKey is KZDXYDYXLXLFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3S2/c26-21(18-8-6-17(7-9-18)16-4-2-1-3-5-16)24-19-10-12-20(13-11-19)30(27,28)25-22-23-14-15-29-22/h1-15H,(H,23,25)(H,24,26).
What are the key properties of 4-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
4-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide has a molecular weight of 435.53 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 1106557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).