N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)-3-(trifluoromethoxy)benzenesulfonamide

C19H17F3N2O3S2 — CID 146102280

IUPACN-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)-3-(trifluoromethoxy)benzenesulfonamide
SMILESCC(C)c1sc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)nc1-c1ccccc1
InChIInChI=1S/C19H17F3N2O3S2/c1-12(2)17-16(13-7-4-3-5-8-13)23-18(28-17)24-29(25,26)15-10-6-9-14(11-15)27-19(20,21)22/h3-12H,1-2H3,(H,23,24)
InChIKeyOVIBDQFOYQUFCX-UHFFFAOYSA-N
MW442.48 g/mol
LogP5.63
Rot. Bonds6

About N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)-3-(trifluoromethoxy)benzenesulfonamide

N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)-3-(trifluoromethoxy)benzenesulfonamide (PubChem CID 146102280) has the molecular formula C19H17F3N2O3S2 and a molecular weight of 442.48 g/mol. Its IUPAC name is N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)-3-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)-3-(trifluoromethoxy)benzenesulfonamide
PubChem CID146102280
Molecular FormulaC19H17F3N2O3S2
Molecular Weight442.48 g/mol
Exact Mass442.06
IUPAC NameN-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)-3-(trifluoromethoxy)benzenesulfonamide
SMILESCC(C)c1sc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)nc1-c1ccccc1
InChIInChI=1S/C19H17F3N2O3S2/c1-12(2)17-16(13-7-4-3-5-8-13)23-18(28-17)24-29(25,26)15-10-6-9-14(11-15)27-19(20,21)22/h3-12H,1-2H3,(H,23,24)
InChIKeyOVIBDQFOYQUFCX-UHFFFAOYSA-N
XLogP5.63
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.48
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-(trifluoromethoxy)benzenesulfonamide
CID 146075644
N-[5-[3-(2,2-dimethylpropoxy)phenyl]-4-(2-propan-2-ylphenyl)-1,3-thiazol-2-yl]-3-(1,1,1-trifluoropropan-2-ylamino)benzenesulfonamide
CID 174200633
N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 24662739
N-(4-methylsulfonylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 24662483
3-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 78845439
N-ethyl-3-(trifluoromethoxy)benzenesulfonamide
CID 43243258
methyl 2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]propanoate
CID 60726679
N-(2,5-dimethylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 31669223
N-[2-methyl-3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]acetamide
CID 86922473
2-methyl-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid
CID 61263224
N-(3-fluoro-4-pyridinyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 122135835
N-(3-acetylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 31688238

Frequently Asked Questions

What is the IUPAC name of N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)-3-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)-3-(trifluoromethoxy)benzenesulfonamide (CID 146102280) is N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)-3-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)-3-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)-3-(trifluoromethoxy)benzenesulfonamide is CC(C)c1sc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)nc1-c1ccccc1.
What is the InChIKey of N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)-3-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is OVIBDQFOYQUFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O3S2/c1-12(2)17-16(13-7-4-3-5-8-13)23-18(28-17)24-29(25,26)15-10-6-9-14(11-15)27-19(20,21)22/h3-12H,1-2H3,(H,23,24).
What are the key properties of N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)-3-(trifluoromethoxy)benzenesulfonamide?
N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)-3-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 442.48 g/mol, XLogP of 5.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)-3-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 146102280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).