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

C22H16FN3O3S2 — CID 2336835

IUPAC2-[(4-fluorophenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C22H16FN3O3S2/c23-16-10-12-17(13-11-16)31(28,29)26-19-9-5-4-8-18(19)21(27)25-22-24-20(14-30-22)15-6-2-1-3-7-15/h1-14,26H,(H,24,25,27)
InChIKeyCBETYIIGANGMOI-UHFFFAOYSA-N
MW453.52 g/mol
LogP5.00
Rot. Bonds6

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

2-[(4-fluorophenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (PubChem CID 2336835) has the molecular formula C22H16FN3O3S2 and a molecular weight of 453.52 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
PubChem CID2336835
Molecular FormulaC22H16FN3O3S2
Molecular Weight453.52 g/mol
Exact Mass453.06
IUPAC Name2-[(4-fluorophenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C22H16FN3O3S2/c23-16-10-12-17(13-11-16)31(28,29)26-19-9-5-4-8-18(19)21(27)25-22-24-20(14-30-22)15-6-2-1-3-7-15/h1-14,26H,(H,24,25,27)
InChIKeyCBETYIIGANGMOI-UHFFFAOYSA-N
XLogP5.00
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.52
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (CID 2336835) is 2-[(4-fluorophenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is O=C(Nc1nc(-c2ccccc2)cs1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is CBETYIIGANGMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O3S2/c23-16-10-12-17(13-11-16)31(28,29)26-19-9-5-4-8-18(19)21(27)25-22-24-20(14-30-22)15-6-2-1-3-7-15/h1-14,26H,(H,24,25,27).
What are the key properties of 2-[(4-fluorophenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
2-[(4-fluorophenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 453.52 g/mol, XLogP of 5.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 2336835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).