N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide

C13H13F3N2O3S2 — CID 71795588

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESCc1nc(C)c(CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)s1
InChIInChI=1S/C13H13F3N2O3S2/c1-8-12(22-9(2)18-8)7-17-23(19,20)11-5-3-10(4-6-11)21-13(14,15)16/h3-6,17H,7H2,1-2H3
InChIKeyCFMUAEWPWNKLGD-UHFFFAOYSA-N
MW366.39 g/mol
LogP3.14
Rot. Bonds5

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

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 71795588) has the molecular formula C13H13F3N2O3S2 and a molecular weight of 366.39 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID71795588
Molecular FormulaC13H13F3N2O3S2
Molecular Weight366.39 g/mol
Exact Mass366.03
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESCc1nc(C)c(CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)s1
InChIInChI=1S/C13H13F3N2O3S2/c1-8-12(22-9(2)18-8)7-17-23(19,20)11-5-3-10(4-6-11)21-13(14,15)16/h3-6,17H,7H2,1-2H3
InChIKeyCFMUAEWPWNKLGD-UHFFFAOYSA-N
XLogP3.14
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide (CID 71795588) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide is Cc1nc(C)c(CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)s1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is CFMUAEWPWNKLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O3S2/c1-8-12(22-9(2)18-8)7-17-23(19,20)11-5-3-10(4-6-11)21-13(14,15)16/h3-6,17H,7H2,1-2H3.
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 366.39 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 71795588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).