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

C11H9F3N2O3S2 — CID 17018949

IUPACN-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESCc1csc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C11H9F3N2O3S2/c1-7-6-20-10(15-7)16-21(17,18)9-4-2-8(3-5-9)19-11(12,13)14/h2-6H,1H3,(H,15,16)
InChIKeyIIFJHDDTEQLNMC-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.15
Rot. Bonds4

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

N-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 17018949) has the molecular formula C11H9F3N2O3S2 and a molecular weight of 338.33 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID17018949
Molecular FormulaC11H9F3N2O3S2
Molecular Weight338.33 g/mol
Exact Mass338.00
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESCc1csc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C11H9F3N2O3S2/c1-7-6-20-10(15-7)16-21(17,18)9-4-2-8(3-5-9)19-11(12,13)14/h2-6H,1H3,(H,15,16)
InChIKeyIIFJHDDTEQLNMC-UHFFFAOYSA-N
XLogP3.15
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethoxy)benzenesulfonamide (CID 17018949) is N-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethoxy)benzenesulfonamide is Cc1csc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is IIFJHDDTEQLNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O3S2/c1-7-6-20-10(15-7)16-21(17,18)9-4-2-8(3-5-9)19-11(12,13)14/h2-6H,1H3,(H,15,16).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethoxy)benzenesulfonamide?
N-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 338.33 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 17018949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).