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

C12H10F4N2O2S2 — CID 23603419

IUPAC4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1nc(CNS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cs1
InChIInChI=1S/C12H10F4N2O2S2/c1-7-18-8(6-21-7)5-17-22(19,20)9-2-3-11(13)10(4-9)12(14,15)16/h2-4,6,17H,5H2,1H3
InChIKeyRXZURLRORICLBX-UHFFFAOYSA-N
MW354.35 g/mol
LogP3.09
Rot. Bonds4

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

4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 23603419) has the molecular formula C12H10F4N2O2S2 and a molecular weight of 354.35 g/mol. Its IUPAC name is 4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID23603419
Molecular FormulaC12H10F4N2O2S2
Molecular Weight354.35 g/mol
Exact Mass354.01
IUPAC Name4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1nc(CNS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cs1
InChIInChI=1S/C12H10F4N2O2S2/c1-7-18-8(6-21-7)5-17-22(19,20)9-2-3-11(13)10(4-9)12(14,15)16/h2-4,6,17H,5H2,1H3
InChIKeyRXZURLRORICLBX-UHFFFAOYSA-N
XLogP3.09
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-Methyl-1,3-Thiazol-4-Yl)-N-(3,3,3-Trifluoropropyl)benzenesulfonamide
CID 73507388
N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}-3-(trifluoromethyl)benzenesulfonamide
CID 2738761
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]ethanesulfonamide
CID 5310004
2-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 5310200
4-Fluoro-N-{2-[2-(3-fluorophenyl)-1,3-thiazol-4-YL]ethyl}-3-methylbenzene-1-sulfonamide
CID 7530810
4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 7152309
2,4,6-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 23603417
4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 23603418
4-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzene-1-sulfonamide
CID 23603420
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanesulfonamide
CID 3242939
4-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 73507390
2,4,5-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 3238536

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide (CID 23603419) is 4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide is Cc1nc(CNS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cs1.
What is the InChIKey of 4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is RXZURLRORICLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F4N2O2S2/c1-7-18-8(6-21-7)5-17-22(19,20)9-2-3-11(13)10(4-9)12(14,15)16/h2-4,6,17H,5H2,1H3.
What are the key properties of 4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 354.35 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 23603419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).