N-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzenesulfonamide

C11H9F3N2O2S2 — CID 74227200

IUPACN-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzenesulfonamide
SMILESCc1csc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C11H9F3N2O2S2/c1-7-6-19-10(15-7)16-20(17,18)9-4-2-8(3-5-9)11(12,13)14/h2-6H,1H3,(H,15,16)
InChIKeyBLVDUPDRAMBUSQ-UHFFFAOYSA-N
MW322.33 g/mol
LogP3.27
Rot. Bonds3

About N-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzenesulfonamide

N-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 74227200) has the molecular formula C11H9F3N2O2S2 and a molecular weight of 322.33 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzenesulfonamide
PubChem CID74227200
Molecular FormulaC11H9F3N2O2S2
Molecular Weight322.33 g/mol
Exact Mass322.01
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzenesulfonamide
SMILESCc1csc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C11H9F3N2O2S2/c1-7-6-19-10(15-7)16-20(17,18)9-4-2-8(3-5-9)11(12,13)14/h2-6H,1H3,(H,15,16)
InChIKeyBLVDUPDRAMBUSQ-UHFFFAOYSA-N
XLogP3.27
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 43135540
4-(ethylaminomethyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 28715935
4-cyclohexyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 35539083
4-methoxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 656127
3,5-dichloro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 25047855
6-methoxy-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide
CID 99837871
3-amino-4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 115328636
N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 56592927
2-chloro-N-(4-methyl-1,3-thiazol-2-yl)pyrimidine-5-sulfonamide
CID 43456367
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 90626885
2-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzenecarbothioamide
CID 63288690
4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3-nitrobenzenesulfonamide
CID 3820035

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzenesulfonamide (CID 74227200) is N-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzenesulfonamide is Cc1csc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is BLVDUPDRAMBUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O2S2/c1-7-6-19-10(15-7)16-20(17,18)9-4-2-8(3-5-9)11(12,13)14/h2-6H,1H3,(H,15,16).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzenesulfonamide?
N-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 322.33 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 74227200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).