N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(4-methylphenyl)sulfonylamino]benzamide

C23H18FN3O3S2 — CID 657154

IUPACN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1
InChIInChI=1S/C23H18FN3O3S2/c1-15-6-12-18(13-7-15)32(29,30)27-20-5-3-2-4-19(20)22(28)26-23-25-21(14-31-23)16-8-10-17(24)11-9-16/h2-14,27H,1H3,(H,25,26,28)
InChIKeyXWAUCQGRYNYIOT-UHFFFAOYSA-N
MW467.55 g/mol
LogP5.31
Rot. Bonds6

About N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(4-methylphenyl)sulfonylamino]benzamide

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 657154) has the molecular formula C23H18FN3O3S2 and a molecular weight of 467.55 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID657154
Molecular FormulaC23H18FN3O3S2
Molecular Weight467.55 g/mol
Exact Mass467.08
IUPAC NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1
InChIInChI=1S/C23H18FN3O3S2/c1-15-6-12-18(13-7-15)32(29,30)27-20-5-3-2-4-19(20)22(28)26-23-25-21(14-31-23)16-8-10-17(24)11-9-16/h2-14,27H,1H3,(H,25,26,28)
InChIKeyXWAUCQGRYNYIOT-UHFFFAOYSA-N
XLogP5.31
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.55
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(4-methylphenyl)sulfonylamino]benzamide (CID 657154) is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1.
What is the InChIKey of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is XWAUCQGRYNYIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O3S2/c1-15-6-12-18(13-7-15)32(29,30)27-20-5-3-2-4-19(20)22(28)26-23-25-21(14-31-23)16-8-10-17(24)11-9-16/h2-14,27H,1H3,(H,25,26,28).
What are the key properties of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(4-methylphenyl)sulfonylamino]benzamide?
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 467.55 g/mol, XLogP of 5.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 657154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).