4-[2-(2,2,2-trifluoroethylamino)-1,3-thiazol-4-yl]benzenesulfonamide

C11H10F3N3O2S2 — CID 51107739

IUPAC4-[2-(2,2,2-trifluoroethylamino)-1,3-thiazol-4-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2csc(NCC(F)(F)F)n2)cc1
InChIInChI=1S/C11H10F3N3O2S2/c12-11(13,14)6-16-10-17-9(5-20-10)7-1-3-8(4-2-7)21(15,18)19/h1-5H,6H2,(H,16,17)(H2,15,18,19)
InChIKeyBVRMOAQNVRHUET-UHFFFAOYSA-N
MW337.35 g/mol
LogP2.43
Rot. Bonds4

About 4-[2-(2,2,2-trifluoroethylamino)-1,3-thiazol-4-yl]benzenesulfonamide

4-[2-(2,2,2-trifluoroethylamino)-1,3-thiazol-4-yl]benzenesulfonamide (PubChem CID 51107739) has the molecular formula C11H10F3N3O2S2 and a molecular weight of 337.35 g/mol. Its IUPAC name is 4-[2-(2,2,2-trifluoroethylamino)-1,3-thiazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(2,2,2-trifluoroethylamino)-1,3-thiazol-4-yl]benzenesulfonamide
PubChem CID51107739
Molecular FormulaC11H10F3N3O2S2
Molecular Weight337.35 g/mol
Exact Mass337.02
IUPAC Name4-[2-(2,2,2-trifluoroethylamino)-1,3-thiazol-4-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2csc(NCC(F)(F)F)n2)cc1
InChIInChI=1S/C11H10F3N3O2S2/c12-11(13,14)6-16-10-17-9(5-20-10)7-1-3-8(4-2-7)21(15,18)19/h1-5H,6H2,(H,16,17)(H2,15,18,19)
InChIKeyBVRMOAQNVRHUET-UHFFFAOYSA-N
XLogP2.43
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(aminomethyl)phenyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 59828852
4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 43173625
4-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 90730964
3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2,2-dimethylpropanamide
CID 133371380
4-(3-chlorothiophen-2-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 166357506
4-[4-(aminomethyl)phenyl]-N-(2,2-dimethylpropyl)-1,3-thiazol-2-amine
CID 59828904
N-[4-[4-(aminomethyl)phenyl]-1,3-thiazol-2-yl]-1,1,1-trifluoromethanesulfonamide
CID 43602747
4-[[4-(3,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 2928782
4-[2-[4-octoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]benzenesulfonamide
CID 58791906
4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 112769091
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-1,1,1-trifluoromethanesulfonamide
CID 43602534
N,N-dimethyl-4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]benzenesulfonamide
CID 17405572

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,2,2-trifluoroethylamino)-1,3-thiazol-4-yl]benzenesulfonamide?
The IUPAC name of 4-[2-(2,2,2-trifluoroethylamino)-1,3-thiazol-4-yl]benzenesulfonamide (CID 51107739) is 4-[2-(2,2,2-trifluoroethylamino)-1,3-thiazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(2,2,2-trifluoroethylamino)-1,3-thiazol-4-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-(2,2,2-trifluoroethylamino)-1,3-thiazol-4-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2csc(NCC(F)(F)F)n2)cc1.
What is the InChIKey of 4-[2-(2,2,2-trifluoroethylamino)-1,3-thiazol-4-yl]benzenesulfonamide?
The InChIKey is BVRMOAQNVRHUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2S2/c12-11(13,14)6-16-10-17-9(5-20-10)7-1-3-8(4-2-7)21(15,18)19/h1-5H,6H2,(H,16,17)(H2,15,18,19).
What are the key properties of 4-[2-(2,2,2-trifluoroethylamino)-1,3-thiazol-4-yl]benzenesulfonamide?
4-[2-(2,2,2-trifluoroethylamino)-1,3-thiazol-4-yl]benzenesulfonamide has a molecular weight of 337.35 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,2,2-trifluoroethylamino)-1,3-thiazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 51107739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).