2-(1,3-thiazol-5-yl)-N-(1,1,1-trifluorobutan-2-yl)benzenesulfonamide

C13H13F3N2O2S2 — CID 175713473

IUPAC2-(1,3-thiazol-5-yl)-N-(1,1,1-trifluorobutan-2-yl)benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1ccccc1-c1cncs1)C(F)(F)F
InChIInChI=1S/C13H13F3N2O2S2/c1-2-12(13(14,15)16)18-22(19,20)11-6-4-3-5-9(11)10-7-17-8-21-10/h3-8,12,18H,2H2,1H3
InChIKeyWSCYVYUUBVNQEW-UHFFFAOYSA-N
MW350.39 g/mol
LogP3.43
Rot. Bonds5

About 2-(1,3-thiazol-5-yl)-N-(1,1,1-trifluorobutan-2-yl)benzenesulfonamide

2-(1,3-thiazol-5-yl)-N-(1,1,1-trifluorobutan-2-yl)benzenesulfonamide (PubChem CID 175713473) has the molecular formula C13H13F3N2O2S2 and a molecular weight of 350.39 g/mol. Its IUPAC name is 2-(1,3-thiazol-5-yl)-N-(1,1,1-trifluorobutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-(1,3-thiazol-5-yl)-N-(1,1,1-trifluorobutan-2-yl)benzenesulfonamide
PubChem CID175713473
Molecular FormulaC13H13F3N2O2S2
Molecular Weight350.39 g/mol
Exact Mass350.04
IUPAC Name2-(1,3-thiazol-5-yl)-N-(1,1,1-trifluorobutan-2-yl)benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1ccccc1-c1cncs1)C(F)(F)F
InChIInChI=1S/C13H13F3N2O2S2/c1-2-12(13(14,15)16)18-22(19,20)11-6-4-3-5-9(11)10-7-17-8-21-10/h3-8,12,18H,2H2,1H3
InChIKeyWSCYVYUUBVNQEW-UHFFFAOYSA-N
XLogP3.43
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-5-yl)-N-(1,1,1-trifluorobutan-2-yl)benzenesulfonamide?
The IUPAC name of 2-(1,3-thiazol-5-yl)-N-(1,1,1-trifluorobutan-2-yl)benzenesulfonamide (CID 175713473) is 2-(1,3-thiazol-5-yl)-N-(1,1,1-trifluorobutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-(1,3-thiazol-5-yl)-N-(1,1,1-trifluorobutan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-(1,3-thiazol-5-yl)-N-(1,1,1-trifluorobutan-2-yl)benzenesulfonamide is CCC(NS(=O)(=O)c1ccccc1-c1cncs1)C(F)(F)F.
What is the InChIKey of 2-(1,3-thiazol-5-yl)-N-(1,1,1-trifluorobutan-2-yl)benzenesulfonamide?
The InChIKey is WSCYVYUUBVNQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O2S2/c1-2-12(13(14,15)16)18-22(19,20)11-6-4-3-5-9(11)10-7-17-8-21-10/h3-8,12,18H,2H2,1H3.
What are the key properties of 2-(1,3-thiazol-5-yl)-N-(1,1,1-trifluorobutan-2-yl)benzenesulfonamide?
2-(1,3-thiazol-5-yl)-N-(1,1,1-trifluorobutan-2-yl)benzenesulfonamide has a molecular weight of 350.39 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-5-yl)-N-(1,1,1-trifluorobutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 175713473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).