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

C16H10F4N2O2S2 — CID 25024188

IUPACN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1nc(-c2ccc(F)cc2)cs1)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H10F4N2O2S2/c17-11-7-5-10(6-8-11)13-9-25-15(21-13)22-26(23,24)14-4-2-1-3-12(14)16(18,19)20/h1-9H,(H,21,22)
InChIKeyRDYXMNOXRHHUTD-UHFFFAOYSA-N
MW402.39 g/mol
LogP4.77
Rot. Bonds4

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

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 25024188) has the molecular formula C16H10F4N2O2S2 and a molecular weight of 402.39 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID25024188
Molecular FormulaC16H10F4N2O2S2
Molecular Weight402.39 g/mol
Exact Mass402.01
IUPAC NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1nc(-c2ccc(F)cc2)cs1)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H10F4N2O2S2/c17-11-7-5-10(6-8-11)13-9-25-15(21-13)22-26(23,24)14-4-2-1-3-12(14)16(18,19)20/h1-9H,(H,21,22)
InChIKeyRDYXMNOXRHHUTD-UHFFFAOYSA-N
XLogP4.77
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.39
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_F(1)', 'substructure': 'N/A'}

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Related Compounds

2,5-dichloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 71396289
2-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 7941095
4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 10222134
2-[[4-[2-[(2-carboxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]sulfamoyl]benzoic acid
CID 3328320
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzenesulfonamide
CID 19203678
2-ethylsulfonyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 7578632
methyl 4-fluoro-3-[(4-phenyl-1,3-thiazol-2-yl)sulfamoyl]benzoate
CID 95038335
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 7948246
N-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 1132723
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzamide
CID 26249519
2-chloro-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide
CID 167896231
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-1,1,1-trifluoromethanesulfonamide
CID 43602534

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzenesulfonamide (CID 25024188) is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1nc(-c2ccc(F)cc2)cs1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is RDYXMNOXRHHUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F4N2O2S2/c17-11-7-5-10(6-8-11)13-9-25-15(21-13)22-26(23,24)14-4-2-1-3-12(14)16(18,19)20/h1-9H,(H,21,22).
What are the key properties of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzenesulfonamide?
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 402.39 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 25024188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).