N-[4-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]ethanesulfonamide

C12H12F3N3O2S2 — CID 166330186

IUPACN-[4-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Nc2ncc(C(F)(F)F)s2)cc1
InChIInChI=1S/C12H12F3N3O2S2/c1-2-22(19,20)18-9-5-3-8(4-6-9)17-11-16-7-10(21-11)12(13,14)15/h3-7,18H,2H2,1H3,(H,16,17)
InChIKeyJBQRZKZARNFLNI-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.67
Rot. Bonds5

About N-[4-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]ethanesulfonamide

N-[4-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]ethanesulfonamide (PubChem CID 166330186) has the molecular formula C12H12F3N3O2S2 and a molecular weight of 351.38 g/mol. Its IUPAC name is N-[4-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]ethanesulfonamide
PubChem CID166330186
Molecular FormulaC12H12F3N3O2S2
Molecular Weight351.38 g/mol
Exact Mass351.03
IUPAC NameN-[4-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Nc2ncc(C(F)(F)F)s2)cc1
InChIInChI=1S/C12H12F3N3O2S2/c1-2-22(19,20)18-9-5-3-8(4-6-9)17-11-16-7-10(21-11)12(13,14)15/h3-7,18H,2H2,1H3,(H,16,17)
InChIKeyJBQRZKZARNFLNI-UHFFFAOYSA-N
XLogP3.67
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 91324659
N-[4-(4-tert-butylanilino)phenyl]ethanesulfonamide
CID 112986729
N-[4-(4-ethoxyanilino)phenyl]ethanesulfonamide
CID 112987701
N-[4-methyl-3-(trifluoromethyl)phenyl]ethanesulfonamide
CID 60705439
N-butan-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine
CID 130637982
N-[4-(4-propan-2-ylanilino)phenyl]ethanesulfonamide
CID 112986651
N-[6-(4-bromoanilino)-3-pyridinyl]ethanesulfonamide
CID 113019236
1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]propan-2-ol
CID 130617285
N-(4-ethylphenyl)ethanesulfonamide
CID 896511
N-[4-[4-(ethylsulfonylamino)phenoxy]phenyl]ethanesulfonamide
CID 1292287
N-[4-bromo-3-(trifluoromethyl)phenyl]ethanesulfonamide
CID 3671592
N-[6-[4-(trifluoromethyl)anilino]-3-pyridinyl]butane-1-sulfonamide
CID 113020292

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]ethanesulfonamide?
The IUPAC name of N-[4-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]ethanesulfonamide (CID 166330186) is N-[4-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(Nc2ncc(C(F)(F)F)s2)cc1.
What is the InChIKey of N-[4-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]ethanesulfonamide?
The InChIKey is JBQRZKZARNFLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O2S2/c1-2-22(19,20)18-9-5-3-8(4-6-9)17-11-16-7-10(21-11)12(13,14)15/h3-7,18H,2H2,1H3,(H,16,17).
What are the key properties of N-[4-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]ethanesulfonamide?
N-[4-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]ethanesulfonamide has a molecular weight of 351.38 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]ethanesulfonamide is sourced from PubChem (CID 166330186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).