N-[4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide;hydrochloride

C16H13ClF3N3O2S2 — CID 22049676

IUPACN-[4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)Nc1ccc(-c2csc(-c3cnccc3C(F)(F)F)n2)cc1.Cl
InChIInChI=1S/C16H12F3N3O2S2.ClH/c1-26(23,24)22-11-4-2-10(3-5-11)14-9-25-15(21-14)12-8-20-7-6-13(12)16(17,18)19;/h2-9,22H,1H3;1H
InChIKeyPJLJENINZVGUEZ-UHFFFAOYSA-N
MW435.88 g/mol
LogP4.68
Rot. Bonds4

About N-[4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide;hydrochloride

N-[4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide;hydrochloride (PubChem CID 22049676) has the molecular formula C16H13ClF3N3O2S2 and a molecular weight of 435.88 g/mol. Its IUPAC name is N-[4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide;hydrochloride
PubChem CID22049676
Molecular FormulaC16H13ClF3N3O2S2
Molecular Weight435.88 g/mol
Exact Mass435.01
IUPAC NameN-[4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)Nc1ccc(-c2csc(-c3cnccc3C(F)(F)F)n2)cc1.Cl
InChIInChI=1S/C16H12F3N3O2S2.ClH/c1-26(23,24)22-11-4-2-10(3-5-11)14-9-25-15(21-14)12-8-20-7-6-13(12)16(17,18)19;/h2-9,22H,1H3;1H
InChIKeyPJLJENINZVGUEZ-UHFFFAOYSA-N
XLogP4.68
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.88
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide;hydrochloride?
The IUPAC name of N-[4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide;hydrochloride (CID 22049676) is N-[4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-[4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide;hydrochloride is CS(=O)(=O)Nc1ccc(-c2csc(-c3cnccc3C(F)(F)F)n2)cc1.Cl.
What is the InChIKey of N-[4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide;hydrochloride?
The InChIKey is PJLJENINZVGUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2S2.ClH/c1-26(23,24)22-11-4-2-10(3-5-11)14-9-25-15(21-14)12-8-20-7-6-13(12)16(17,18)19;/h2-9,22H,1H3;1H.
What are the key properties of N-[4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide;hydrochloride?
N-[4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide;hydrochloride has a molecular weight of 435.88 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 22049676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).