3-[[5-[2-(trifluoromethyl)benzoyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide

C17H12F3N3O3S2 — CID 10387790

IUPAC3-[[5-[2-(trifluoromethyl)benzoyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(Nc2ncc(C(=O)c3ccccc3C(F)(F)F)s2)c1
InChIInChI=1S/C17H12F3N3O3S2/c18-17(19,20)13-7-2-1-6-12(13)15(24)14-9-22-16(27-14)23-10-4-3-5-11(8-10)28(21,25)26/h1-9H,(H,22,23)(H2,21,25,26)
InChIKeyVCPNQWJZWFGAQW-UHFFFAOYSA-N
MW427.43 g/mol
LogP3.78
Rot. Bonds5

About 3-[[5-[2-(trifluoromethyl)benzoyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide

3-[[5-[2-(trifluoromethyl)benzoyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide (PubChem CID 10387790) has the molecular formula C17H12F3N3O3S2 and a molecular weight of 427.43 g/mol. Its IUPAC name is 3-[[5-[2-(trifluoromethyl)benzoyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name3-[[5-[2-(trifluoromethyl)benzoyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide
PubChem CID10387790
Molecular FormulaC17H12F3N3O3S2
Molecular Weight427.43 g/mol
Exact Mass427.03
IUPAC Name3-[[5-[2-(trifluoromethyl)benzoyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(Nc2ncc(C(=O)c3ccccc3C(F)(F)F)s2)c1
InChIInChI=1S/C17H12F3N3O3S2/c18-17(19,20)13-7-2-1-6-12(13)15(24)14-9-22-16(27-14)23-10-4-3-5-11(8-10)28(21,25)26/h1-9H,(H,22,23)(H2,21,25,26)
InChIKeyVCPNQWJZWFGAQW-UHFFFAOYSA-N
XLogP3.78
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.43
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-[2-(trifluoromethyl)benzoyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The IUPAC name of 3-[[5-[2-(trifluoromethyl)benzoyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide (CID 10387790) is 3-[[5-[2-(trifluoromethyl)benzoyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 3-[[5-[2-(trifluoromethyl)benzoyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 3-[[5-[2-(trifluoromethyl)benzoyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide is NS(=O)(=O)c1cccc(Nc2ncc(C(=O)c3ccccc3C(F)(F)F)s2)c1.
What is the InChIKey of 3-[[5-[2-(trifluoromethyl)benzoyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The InChIKey is VCPNQWJZWFGAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O3S2/c18-17(19,20)13-7-2-1-6-12(13)15(24)14-9-22-16(27-14)23-10-4-3-5-11(8-10)28(21,25)26/h1-9H,(H,22,23)(H2,21,25,26).
What are the key properties of 3-[[5-[2-(trifluoromethyl)benzoyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide?
3-[[5-[2-(trifluoromethyl)benzoyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide has a molecular weight of 427.43 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[2-(trifluoromethyl)benzoyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 10387790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).