2,4-dimethyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide

C12H11F3N2O2S2 — CID 166223413

IUPAC2,4-dimethyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide
SMILESCc1nc(C)c(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C12H11F3N2O2S2/c1-7-11(20-8(2)16-7)21(18,19)17-10-5-3-4-9(6-10)12(13,14)15/h3-6,17H,1-2H3
InChIKeyXJFCITVIRFDWJN-UHFFFAOYSA-N
MW336.36 g/mol
LogP3.58
Rot. Bonds3

About 2,4-dimethyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide

2,4-dimethyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide (PubChem CID 166223413) has the molecular formula C12H11F3N2O2S2 and a molecular weight of 336.36 g/mol. Its IUPAC name is 2,4-dimethyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide
PubChem CID166223413
Molecular FormulaC12H11F3N2O2S2
Molecular Weight336.36 g/mol
Exact Mass336.02
IUPAC Name2,4-dimethyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide
SMILESCc1nc(C)c(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C12H11F3N2O2S2/c1-7-11(20-8(2)16-7)21(18,19)17-10-5-3-4-9(6-10)12(13,14)15/h3-6,17H,1-2H3
InChIKeyXJFCITVIRFDWJN-UHFFFAOYSA-N
XLogP3.58
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide;hydrochloride
CID 126460275
3,5-ditert-butyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 4546210
2-amino-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-sulfonamide
CID 63945185
2-methyl-N-[3-(trifluoromethyl)phenyl]-1H-imidazole-5-sulfonamide
CID 62998902
1-N-methyl-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-disulfonamide
CID 49186446
3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 46365646
3-methyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide
CID 42283326
N-[3-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide
CID 3814100
2-methoxy-4,5-dimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 113098664
2-fluoro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 5088355
2-(methanesulfonamido)-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 100773164
2,2-dimethyl-N-[5-[[3-(trifluoromethyl)phenyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 100583010

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2,4-dimethyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide (CID 166223413) is 2,4-dimethyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2,4-dimethyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide is Cc1nc(C)c(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of 2,4-dimethyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide?
The InChIKey is XJFCITVIRFDWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O2S2/c1-7-11(20-8(2)16-7)21(18,19)17-10-5-3-4-9(6-10)12(13,14)15/h3-6,17H,1-2H3.
What are the key properties of 2,4-dimethyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide?
2,4-dimethyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide has a molecular weight of 336.36 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 166223413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).