N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-(trifluoromethoxy)benzenesulfonamide

C16H12F3N3O3S2 — CID 146075644

IUPACN-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-(trifluoromethoxy)benzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)sc1-c1ccccn1
InChIInChI=1S/C16H12F3N3O3S2/c1-10-14(13-7-2-3-8-20-13)26-15(21-10)22-27(23,24)12-6-4-5-11(9-12)25-16(17,18)19/h2-9H,1H3,(H,21,22)
InChIKeyCADHCABJGNMALU-UHFFFAOYSA-N
MW415.42 g/mol
LogP4.21
Rot. Bonds5

About N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-(trifluoromethoxy)benzenesulfonamide

N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-(trifluoromethoxy)benzenesulfonamide (PubChem CID 146075644) has the molecular formula C16H12F3N3O3S2 and a molecular weight of 415.42 g/mol. Its IUPAC name is N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-(trifluoromethoxy)benzenesulfonamide
PubChem CID146075644
Molecular FormulaC16H12F3N3O3S2
Molecular Weight415.42 g/mol
Exact Mass415.03
IUPAC NameN-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-(trifluoromethoxy)benzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)sc1-c1ccccn1
InChIInChI=1S/C16H12F3N3O3S2/c1-10-14(13-7-2-3-8-20-13)26-15(21-10)22-27(23,24)12-6-4-5-11(9-12)25-16(17,18)19/h2-9H,1H3,(H,21,22)
InChIKeyCADHCABJGNMALU-UHFFFAOYSA-N
XLogP4.21
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-(trifluoromethoxy)benzenesulfonamide (CID 146075644) is N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-(trifluoromethoxy)benzenesulfonamide is Cc1nc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)sc1-c1ccccn1.
What is the InChIKey of N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is CADHCABJGNMALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O3S2/c1-10-14(13-7-2-3-8-20-13)26-15(21-10)22-27(23,24)12-6-4-5-11(9-12)25-16(17,18)19/h2-9H,1H3,(H,21,22).
What are the key properties of N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-(trifluoromethoxy)benzenesulfonamide?
N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 415.42 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 146075644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).