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

C17H13F3N2O2S2 — CID 90626885

IUPACN-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCc1nc(-c2ccccc2NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cs1
InChIInChI=1S/C17H13F3N2O2S2/c1-11-21-16(10-25-11)14-4-2-3-5-15(14)22-26(23,24)13-8-6-12(7-9-13)17(18,19)20/h2-10,22H,1H3
InChIKeyHLOYRPVUNIPOPZ-UHFFFAOYSA-N
MW398.43 g/mol
LogP4.94
Rot. Bonds4

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

N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 90626885) has the molecular formula C17H13F3N2O2S2 and a molecular weight of 398.43 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID90626885
Molecular FormulaC17H13F3N2O2S2
Molecular Weight398.43 g/mol
Exact Mass398.04
IUPAC NameN-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCc1nc(-c2ccccc2NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cs1
InChIInChI=1S/C17H13F3N2O2S2/c1-11-21-16(10-25-11)14-4-2-3-5-15(14)22-26(23,24)13-8-6-12(7-9-13)17(18,19)20/h2-10,22H,1H3
InChIKeyHLOYRPVUNIPOPZ-UHFFFAOYSA-N
XLogP4.94
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide (CID 90626885) is N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide is Cc1nc(-c2ccccc2NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cs1.
What is the InChIKey of N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is HLOYRPVUNIPOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2S2/c1-11-21-16(10-25-11)14-4-2-3-5-15(14)22-26(23,24)13-8-6-12(7-9-13)17(18,19)20/h2-10,22H,1H3.
What are the key properties of N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide?
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 398.43 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 90626885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).